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

Systemtic Name: ethyl 4-[1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-oxidanylidene-1H-isoindol-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C36H37N3O3/c1-2-42-36(41)29-17-19-30(20-18-29)39-34(32-15-9-10-16-33(32)35(39)40)38-25-23-37(24-26-38)22-21-31(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-20,31,34H,2,21-26H2,1H3