CHEBI:97540 - (2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile

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ChEBI Name (2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile
ChEBI ID CHEBI:97540
Stars This entity has been manually annotated by a third party.
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Formula C20H18N2O2
Net Charge 0
Average Mass 318.370
Monoisotopic Mass 318.13683
InChI InChI=1S/C20H18N2O2/c1-24-17-4-2-3-15(11-17)6-5-14-7-9-16(10-8-14)20-18(12-21)22-19(20)13-23/h2-4,7-11,18-20,22-23H,13H2,1H3/t18-,19-,20+/m0/s1
InChIKey XRGAKVKGJSFEJA-SLFFLAALSA-N
SMILES COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO
ChEBI Ontology
Outgoing (2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile (CHEBI:97540) is a azetidines (CHEBI:38777)
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile (CHEBI:97540) is a benzenes (CHEBI:22712)
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile (CHEBI:97540) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-8919 LINCS
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