4-[3-[4-(2-chloranyl-4-oxidanyl-phenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 4-[3-[4-(2-chloranyl-4-oxidanyl-phenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid Openeye Name: 4-[3-[4-(2-chloro-4-hydroxy-phenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid CAS Name: 4-[[3-[4-(2-chloro-4-hydroxyphenyl)phenyl]-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid Traditional Name: 4-[3-[4-(2-chloro-4-hydroxy-phenyl)phenyl]propanoylamino]nicotinic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NC2=C(C=NC=C2)C(=O)O)C3=C(C=C(C=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NC2=C(C=NC=C2)C(=O)O)C3=C(C=C(C=C3)O)Cl

InChI

InChI=1S/C21H17ClN2O4/c22-18-11-15(25)6-7-16(18)14-4-1-13(2-5-14)3-8-20(26)24-19-9-10-23-12-17(19)21(27)28/h1-2,4-7,9-12,25H,3,8H2,(H,27,28)(H,23,24,26)