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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

InChI

InChI=1S/C17H22ClNO4/c1-11-5-7-17(8-6-11,16(21)22)19-15(20)9-12-3-4-13(18)10-14(12)23-2/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)(H,21,22)