ethyl 2-cyano-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-cyano-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoate Openeye Name: ethyl 2-cyano-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoate CAS Name: 2-cyano-5-[4-(3,3-diphenylpropyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzoate Traditional Name: 2-cyano-5-[4-(3,3-diphenylpropyl)piperazino]benzoic acid ethyl ester Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H31N3O2/c1-2-34-29(33)28-21-26(14-13-25(28)22-30)32-19-17-31(18-20-32)16-15-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21,27H,2,15-20H2,1H3