1-[2-(4-chloranyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(4-chloranyl-2-methoxy-phenyl)ethanoylamino]-3-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(4-chloro-2-methoxy-phenyl)acetyl]amino]-3-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(4-chloro-2-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(4-chloro-2-methoxy-phenyl)acetyl]amino]-3-methyl-cyclohexanecarboxylic acid Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

Isomeric SMILES

CC1CCCC(C1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

InChI

InChI=1S/C17H22ClNO4/c1-11-4-3-7-17(10-11,16(21)22)19-15(20)8-12-5-6-13(18)9-14(12)23-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,20)(H,21,22)