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

Systemtic Name: 3-[5-(4-ethanoylphenyl)-2-methoxy-phenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 3-[5-(4-acetylphenyl)-2-methoxy-phenyl]-2-benzyl-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-[5-(4-acetylphenyl)-2-methoxyphenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 3-[5-(4-acetylphenyl)-2-methoxyphenyl]-2-benzyl-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 3-[5-(4-acetylphenyl)-2-methoxy-phenyl]-2-benzyl-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC)C3C4C=CCCC4(C(=O)N3CC5=CC=CC=C5)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC)C3C4C=CCCC4(C(=O)N3CC5=CC=CC=C5)C

InChI

InChI=1S/C31H31NO3/c1-21(33)23-12-14-24(15-13-23)25-16-17-28(35-3)26(19-25)29-27-11-7-8-18-31(27,2)30(34)32(29)20-22-9-5-4-6-10-22/h4-7,9-17,19,27,29H,8,18,20H2,1-3H3