3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-[3-(4-methoxyphenyl)phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C29H29NO2 MolecularWeight: 423.54606

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H29NO2/c1-29-18-7-6-13-26(29)27(30(28(29)31)20-21-9-4-3-5-10-21)24-12-8-11-23(19-24)22-14-16-25(32-2)17-15-22/h3-6,8-17,19,26-27H,7,18,20H2,1-2H3