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

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(2-phenylethanoylamino)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-phenylacetyl)amino]benzoic acid methyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-34-27(33)22-12-13-24(23(19-22)28-25(31)18-20-8-4-2-5-9-20)29-14-16-30(17-15-29)26(32)21-10-6-3-7-11-21/h2-13,19H,14-18H2,1H3,(H,28,31)