1-[2-(2-methoxy-4,6-dimethyl-phenyl)ethanoylamino]-4-propan-2-yl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(2-methoxy-4,6-dimethyl-phenyl)ethanoylamino]-4-propan-2-yl-cyclohexane-1-carboxylic acid Openeye Name: 4-isopropyl-1-[[2-(2-methoxy-4,6-dimethyl-phenyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[2-(2-methoxy-4,6-dimethylphenyl)-1-oxoethyl]amino]-4-propan-2-yl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]-4-propan-2-ylcyclohexane-1-carboxylic acid Traditional Name: 4-isopropyl-1-[[2-(2-methoxy-4,6-dimethyl-phenyl)acetyl]amino]cyclohexanecarboxylic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-13(2)16-6-8-21(9-7-16,20(24)25)22-19(23)12-17-15(4)10-14(3)11-18(17)26-5/h10-11,13,16H,6-9,12H2,1-5H3,(H,22,23)(H,24,25)