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

Systemtic Name: 4-ethyl-1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-ethyl-1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 4-ethyl-1-[[2-(4-methoxy-2-methylphenyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-ethyl-1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-ethyl-1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C(=O)O)NC(=O)C(C)C2=C(C=C(C=C2)OC)C

Isomeric SMILES

CCC1CCC(CC1)(C(=O)O)NC(=O)C(C)C2=C(C=C(C=C2)OC)C

InChI

InChI=1S/C20H29NO4/c1-5-15-8-10-20(11-9-15,19(23)24)21-18(22)14(3)17-7-6-16(25-4)12-13(17)2/h6-7,12,14-15H,5,8-11H2,1-4H3,(H,21,22)(H,23,24)