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

Systemtic Name: methyl 3-(2,2-diphenylethanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2,2-diphenylacetyl)amino]benzoic acid methyl ester Formula: C33H31N3O4 MolecularWeight: 533.61694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C33H31N3O4/c1-40-33(39)27-17-18-29(35-19-21-36(22-20-35)32(38)26-15-9-4-10-16-26)28(23-27)34-31(37)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-18,23,30H,19-22H2,1H3,(H,34,37)