ethyl 3-(2,2-diphenylethanoylamino)-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-(2,2-diphenylethanoylamino)-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[(1-oxo-2,2-diphenylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2,2-diphenylacetyl)amino]benzoic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O4/c1-3-36-29(35)24-14-15-26(32-18-16-31(17-19-32)21(2)33)25(20-24)30-28(34)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,3,16-19H2,1-2H3,(H,30,34)