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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC2C1C(=O)N(C2C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)C)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1CC=CC2C1C(=O)N(C2C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)C)OC)CC5=CC=CC=C5

InChI

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