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

Systemtic Name: 1-[2-(2-chloranyl-4-methoxy-phenyl)ethanoylamino]-3,4-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(2-chloro-4-methoxy-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(2-chloro-4-methoxyphenyl)-1-oxoethyl]amino]-3,4-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]-3,4-dimethylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(2-chloro-4-methoxy-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)OC)Cl

Isomeric SMILES

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)OC)Cl

InChI

InChI=1S/C18H24ClNO4/c1-11-6-7-18(17(22)23,10-12(11)2)20-16(21)8-13-4-5-14(24-3)9-15(13)19/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,20,21)(H,22,23)