4-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 4-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 4-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 4-[[3-(5-chloro-6-hydroxy-2-naphthalenyl)-2-methyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[[3-(5-chloro-6-hydroxynaphthalen-2-yl)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 4-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]nicotinic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=C(C=NC=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=C(C=NC=C3)C(=O)O

InChI

InChI=1S/C20H17ClN2O4/c1-11(19(25)23-16-6-7-22-10-15(16)20(26)27)8-12-2-4-14-13(9-12)3-5-17(24)18(14)21/h2-7,9-11,24H,8H2,1H3,(H,26,27)(H,22,23,25)