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

Systemtic Name: 1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]-3-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]-3-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(2-methoxy-4-methylphenyl)-1-oxopropyl]amino]-3-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-4-methylphenyl)propanoylamino]-3-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[2-(2-methoxy-4-methyl-phenyl)propanoylamino]-3-methyl-cyclohexanecarboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-12-7-8-15(16(10-12)24-4)14(3)17(21)20-19(18(22)23)9-5-6-13(2)11-19/h7-8,10,13-14H,5-6,9,11H2,1-4H3,(H,20,21)(H,22,23)