[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H32N2O4/c1-14(2)20(24-21(26)17-7-5-6-16(4)12-17)22(27)28-13-19(25)23-18-10-8-15(3)9-11-18/h5-7,12,14-15,18,20H,8-11,13H2,1-4H3,(H,23,25)(H,24,26)