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

Systemtic Name: methyl 3-(2,2-diphenylethanoylamino)-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2,2-diphenylacetyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2,2-diphenylacetyl)amino]benzoic acid methyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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