(3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one

Systemtic Name: (3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-(3-butoxypropyl)-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCOCCCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H34N2O2/c1-4-5-20-35-21-10-19-33-30(24-11-6-7-12-25(24)31(33)34)28-26-13-8-9-14-27(26)32(3)29(28)23-17-15-22(2)16-18-23/h6-9,11-18,30H,4-5,10,19-21H2,1-3H3/t30-/m0/s1