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

Systemtic Name: 7-(4-methylphenyl)-2-(phenylmethyl)-4-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-7-(p-tolyl)-4-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 7-(4-methylphenyl)-2-(phenylmethyl)-4-(3-thiophenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-7-(4-methylphenyl)-4-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-7-(p-tolyl)-4-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)O)C5=CSC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)O)C5=CSC=C5

InChI

InChI=1S/C27H27NO2S/c1-19-7-9-21(10-8-19)23-11-12-24(22-13-14-31-17-22)27(26(29)30)18-28(16-25(23)27)15-20-5-3-2-4-6-20/h2-11,13-14,17,24-25H,12,15-16,18H2,1H3,(H,29,30)