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

Systemtic Name: 1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]-4-propan-2-yl-cyclohexane-1-carboxylic acid Openeye Name: 4-isopropyl-1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 1-[[2-(4-methoxy-2-methylphenyl)-1-oxopropyl]amino]-4-propan-2-yl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]-4-propan-2-ylcyclohexane-1-carboxylic acid Traditional Name: 4-isopropyl-1-[2-(4-methoxy-2-methyl-phenyl)propanoylamino]cyclohexanecarboxylic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(C)C(=O)NC2(CCC(CC2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(C)C(=O)NC2(CCC(CC2)C(C)C)C(=O)O

InChI

InChI=1S/C21H31NO4/c1-13(2)16-8-10-21(11-9-16,20(24)25)22-19(23)15(4)18-7-6-17(26-5)12-14(18)3/h6-7,12-13,15-16H,8-11H2,1-5H3,(H,22,23)(H,24,25)