4,7-diphenyl-2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid

Systemtic Name: 4,7-diphenyl-2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-4,7-diphenyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 4,7-diphenyl-2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-4,7-diphenyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-4,7-diphenyl-3,4,7,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C28H27NO2 MolecularWeight: 409.51948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C=CC(C2(CN1CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2C(C=CC(C2(CN1CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO2/c30-27(31)28-20-29(18-21-10-4-1-5-11-21)19-26(28)24(22-12-6-2-7-13-22)16-17-25(28)23-14-8-3-9-15-23/h1-17,24-26H,18-20H2,(H,30,31)