methyl 4-[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate Openeye Name: methyl 4-[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-isoindolin-2-yl]benzoate CAS Name: 4-[1-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]benzoate Traditional Name: 4-[1-[4-(3,3-diphenylpropyl)piperazino]-3-keto-isoindolin-2-yl]benzoic acid methyl ester Formula: C35H35N3O3 MolecularWeight: 545.6707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H35N3O3/c1-41-35(40)28-16-18-29(19-17-28)38-33(31-14-8-9-15-32(31)34(38)39)37-24-22-36(23-25-37)21-20-30(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-19,30,33H,20-25H2,1H3