ethyl 3-(2,2-diphenylethanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-(2,2-diphenylethanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(1-oxo-2,2-diphenylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2,2-diphenylacetyl)amino]benzoic acid ethyl ester Formula: C34H33N3O4 MolecularWeight: 547.64352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H33N3O4/c1-2-41-34(40)28-18-19-30(36-20-22-37(23-21-36)33(39)27-16-10-5-11-17-27)29(24-28)35-32(38)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-19,24,31H,2,20-23H2,1H3,(H,35,38)