5-[(3-chlorophenyl)carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-[(3-chlorophenyl)carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid Openeye Name: 5-[(3-chlorobenzoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid CAS Name: 5-[[(3-chlorophenyl)-oxomethyl]amino]-2-(4-ethoxycarbonyl-1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[(3-chlorobenzoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(3-chlorobenzoyl)amino]nicotinic acid Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O5/c1-2-30-20(29)25-8-6-24(7-9-25)17-16(19(27)28)11-15(12-22-17)23-18(26)13-4-3-5-14(21)10-13/h3-5,10-12H,2,6-9H2,1H3,(H,23,26)(H,27,28)