[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C21H29NO4/c1-15-9-11-17(12-10-15)19(23)13-14-20(24)26-16(2)21(25)22-18-7-5-3-4-6-8-18/h9-12,16,18H,3-8,13-14H2,1-2H3,(H,22,25)/t16-/m1/s1