[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylpiperazin-1-yl)carbonylbenzoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylpiperazin-1-yl)carbonylbenzoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 2-(4-phenylpiperazine-1-carbonyl)benzoate CAS Name: 2-[oxo-(4-phenyl-1-piperazinyl)methyl]benzoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 2-(4-phenylpiperazine-1-carbonyl)benzoate Traditional Name: 2-(4-phenylpiperazine-1-carbonyl)benzoic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4/c1-2-21-12-14-22(15-13-21)29-26(32)20-35-28(34)25-11-7-6-10-24(25)27(33)31-18-16-30(17-19-31)23-8-4-3-5-9-23/h3-15H,2,16-20H2,1H3,(H,29,32)