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

Systemtic Name: 4-(2-methoxyphenyl)-7-(4-methylphenyl)-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: 2-benzyl-4-(2-methoxyphenyl)-7-(p-tolyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: 4-(2-methoxyphenyl)-7-(4-methylphenyl)-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate IUPAC Name: 2-benzyl-4-(2-methoxyphenyl)-7-(4-methylphenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-4-(2-methoxyphenyl)-7-(p-tolyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Formula: C30H30NO3- MolecularWeight: 452.5641

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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=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3(C2CN(C3)CC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=C5OC

InChI

InChI=1S/C30H31NO3/c1-21-12-14-23(15-13-21)24-16-17-26(25-10-6-7-11-28(25)34-2)30(29(32)33)20-31(19-27(24)30)18-22-8-4-3-5-9-22/h3-16,26-27H,17-20H2,1-2H3,(H,32,33)/p-1