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CHEBI:121661 - (3R,3aS,7R,7aS)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

ChEBI IDCHEBI:121661
ChEBI Name(3R,3aS,7R,7aS)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
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DownloadsMolfile
FormulaC31H29NO2S
Net Charge0
Average Mass479.645
Monoisotopic Mass479.19190
SMILESCOc1ccc(-c2cc3ccccc3s2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1
InChIInChI=1S/C31H29NO2S/c1-20-9-8-13-24-29(20)31(33)32(19-21-10-4-3-5-11-21)30(24)25-17-23(15-16-26(25)34-2)28-18-22-12-6-7-14-27(22)35-28/h3-8,10-18,20,24,29-30H,9,19H2,1-2H3/t20-,24+,29+,30-/m1/s1
InChIKeyOAFLRAUVICLSCY-MJQKZAJVSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3aS,7R,7aS)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one (CHEBI:121661) is a pyrrolidines (CHEBI:38260)
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