ethyl 2-[4-[4-(diphenylmethyl)piperazin-1-yl]phenyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[4-[4-(diphenylmethyl)piperazin-1-yl]phenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-3-oxo-butanoate CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]phenyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-3-oxobutanoate Traditional Name: 2-[4-(4-benzhydrylpiperazino)phenyl]-3-keto-butyric acid ethyl ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3/c1-3-34-29(33)27(22(2)32)23-14-16-26(17-15-23)30-18-20-31(21-19-30)28(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,27-28H,3,18-21H2,1-2H3