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

Systemtic Name: ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(2-phenylethanoylamino)benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(1-oxo-2-phenylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-phenylacetyl)amino]benzoic acid ethyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

InChI

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