7-(4-methoxyphenyl)-4-methyl-4-phenyl-2-(phenylmethyl)-1,3,5,7a-tetrahydroisoindole-3a-carboxylate

Systemtic Name: 7-(4-methoxyphenyl)-4-methyl-4-phenyl-2-(phenylmethyl)-1,3,5,7a-tetrahydroisoindole-3a-carboxylate Openeye Name: 2-benzyl-7-(4-methoxyphenyl)-4-methyl-4-phenyl-1,3,5,7a-tetrahydroisoindole-3a-carboxylate CAS Name: 7-(4-methoxyphenyl)-4-methyl-4-phenyl-2-(phenylmethyl)-1,3,5,7a-tetrahydroisoindole-3a-carboxylate IUPAC Name: 2-benzyl-7-(4-methoxyphenyl)-4-methyl-4-phenyl-1,3,5,7a-tetrahydroisoindole-3a-carboxylate Traditional Name: 2-benzyl-7-(4-methoxyphenyl)-4-methyl-4-phenyl-1,3,5,7a-tetrahydroisoindole-3a-carboxylate Formula: C30H30NO3- MolecularWeight: 452.5641

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2C1(CN(C2)CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1(CC=C(C2C1(CN(C2)CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

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