methyl 1-[2-(2,4-dimethylphenyl)ethanoylamino]-4-propan-2-yl-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(2,4-dimethylphenyl)ethanoylamino]-4-propan-2-yl-cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(2,4-dimethylphenyl)acetyl]amino]-4-isopropyl-cyclohexanecarboxylate CAS Name: 1-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-4-propan-2-yl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2,4-dimethylphenyl)acetyl]amino]-4-propan-2-ylcyclohexane-1-carboxylate Traditional Name: 1-[[2-(2,4-dimethylphenyl)acetyl]amino]-4-isopropyl-cyclohexanecarboxylic acid methyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-14(2)17-8-10-21(11-9-17,20(24)25-5)22-19(23)13-18-7-6-15(3)12-16(18)4/h6-7,12,14,17H,8-11,13H2,1-5H3,(H,22,23)