7-(2-benzothiophen-1-yl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid

Systemtic Name: 7-(2-benzothiophen-1-yl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 7-(2-benzothiophen-1-yl)-2-benzyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 7-(2-benzothiophen-1-yl)-4-phenyl-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 7-(2-benzothiophen-1-yl)-2-benzyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-7-isobenzothiophen-1-yl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C30H27NO2S MolecularWeight: 465.60588

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=C6C=CC=CC6=CS5

Isomeric SMILES

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=C6C=CC=CC6=CS5

InChI

InChI=1S/C30H27NO2S/c32-29(33)30-20-31(17-21-9-3-1-4-10-21)18-27(30)25(15-16-26(30)22-11-5-2-6-12-22)28-24-14-8-7-13-23(24)19-34-28/h1-15,19,26-27H,16-18,20H2,(H,32,33)