7-(2-methylphenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: 7-(2-methylphenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-7-(o-tolyl)-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 7-(2-methylphenyl)-4-phenyl-2-(phenylmethyl)-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-(2-methylphenyl)-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-7-(o-tolyl)-4-phenyl-3,4,5,6-tetrahydro-1H-isoindole-3a-carboxylate Formula: C29H28NO2- MolecularWeight: 422.53812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3CN(CC3(C(CC2)C4=CC=CC=C4)C(=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=C3CN(CC3(C(CC2)C4=CC=CC=C4)C(=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C29H29NO2/c1-21-10-8-9-15-24(21)25-16-17-26(23-13-6-3-7-14-23)29(28(31)32)20-30(19-27(25)29)18-22-11-4-2-5-12-22/h2-15,26H,16-20H2,1H3,(H,31,32)/p-1