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

Systemtic Name: methyl 4-[[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-isoindolin-2-yl]methyl]benzoate CAS Name: 4-[[1-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]methyl]benzoate Traditional Name: 4-[[1-[4-(3,3-diphenylpropyl)piperazino]-3-keto-isoindolin-2-yl]methyl]benzoic acid methyl ester Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(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)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H37N3O3/c1-42-36(41)30-18-16-27(17-19-30)26-39-34(32-14-8-9-15-33(32)35(39)40)38-24-22-37(23-25-38)21-20-31(28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-19,31,34H,20-26H2,1H3