2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(propylamino)-2-(pyridin-3-ylcarbonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(propylamino)-2-(pyridin-3-ylcarbonylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(propylamino)-2-(pyridine-3-carbonylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[[oxo(3-pyridinyl)methyl]amino]-3-(propylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(propylamino)-2-(pyridine-3-carbonylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[3-keto-2-nicotinamido-3-(propylamino)propyl]benzoic acid Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H23N3O7/c1-2-7-23-20(28)16(24-19(27)14-4-3-8-22-11-14)10-13-5-6-17(31-12-18(25)26)15(9-13)21(29)30/h3-6,8-9,11,16H,2,7,10,12H2,1H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)