3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-[5-(4-dimethylaminophenyl)-2-methoxyphenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxyphenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-[5-(4-dimethylaminophenyl)-2-methoxy-phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C31H34N2O2 MolecularWeight: 466.61386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O2/c1-31-19-9-8-12-27(31)29(33(30(31)34)21-22-10-6-5-7-11-22)26-20-24(15-18-28(26)35-4)23-13-16-25(17-14-23)32(2)3/h5-8,10-18,20,27,29H,9,19,21H2,1-4H3