4-[6-[(2-methoxy-5-methyl-phenyl)carbamoylamino]pyridin-3-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[6-[(2-methoxy-5-methyl-phenyl)carbamoylamino]pyridin-3-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[6-[(2-methoxy-5-methyl-phenyl)carbamoylamino]-3-pyridyl]cyclohexanecarboxylic acid CAS Name: 4-[6-[[(2-methoxy-5-methylanilino)-oxomethyl]amino]-3-pyridinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[6-[(2-methoxy-5-methylphenyl)carbamoylamino]pyridin-3-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[6-[(2-methoxy-5-methyl-phenyl)carbamoylamino]-3-pyridyl]cyclohexanecarboxylic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=C(C=C2)C3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=C(C=C2)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-13-3-9-18(28-2)17(11-13)23-21(27)24-19-10-8-16(12-22-19)14-4-6-15(7-5-14)20(25)26/h3,8-12,14-15H,4-7H2,1-2H3,(H,25,26)(H2,22,23,24,27)