methyl 4-[[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-1-oxo-isoindolin-2-yl]methyl]benzoate CAS Name: 4-[[5-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]methyl]benzoate Traditional Name: 4-[[6-[4-(3,3-diphenylpropyl)piperazino]-1-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)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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