[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4/c1-2-3-5-8-22-11-13-23(14-12-22)25(30)15-16-27(32)33-21-26(31)29-19-17-28(18-20-29)24-9-6-4-7-10-24/h4,6-7,9-14H,2-3,5,8,15-21H2,1H3