[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2CCCC2

InChI

InChI=1S/C21H30N2O4/c1-13(2)18(23-20(25)16-9-7-8-14(3)12-16)21(26)27-15(4)19(24)22-17-10-5-6-11-17/h7-9,12-13,15,17-18H,5-6,10-11H2,1-4H3,(H,22,24)(H,23,25)