ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(pyridin-3-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-nicotinamido-benzoic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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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)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c1-2-34-26(33)20-10-11-23(22(17-20)28-24(31)21-9-6-12-27-18-21)29-13-15-30(16-14-29)25(32)19-7-4-3-5-8-19/h3-12,17-18H,2,13-16H2,1H3,(H,28,31)