2-[[4-chloranyl-3-[(6-methylpyridin-2-yl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-3-[(6-methylpyridin-2-yl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-chloro-3-[(6-methyl-2-pyridyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-chloro-3-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-chloro-3-[(6-methylpyridin-2-yl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-chloro-3-[(6-methyl-2-pyridyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)Cl

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-12-5-4-8-18(23-12)25-20(27)16-11-13(9-10-17(16)22)24-19(26)14-6-2-3-7-15(14)21(28)29/h4-5,8-11,14-15H,2-3,6-7H2,1H3,(H,24,26)(H,28,29)(H,23,25,27)