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

Systemtic Name: 4-phenyl-2-(phenylmethyl)-7-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-4-phenyl-7-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 4-phenyl-2-(phenylmethyl)-7-(3-thiophenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-4-phenyl-7-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-4-phenyl-7-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C26H25NO2S MolecularWeight: 415.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

C1C=C(C2CN(CC2(C1C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C26H25NO2S/c28-25(29)26-18-27(15-19-7-3-1-4-8-19)16-24(26)22(21-13-14-30-17-21)11-12-23(26)20-9-5-2-6-10-20/h1-11,13-14,17,23-24H,12,15-16,18H2,(H,28,29)