[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-15-10-11-16(2)19(14-15)20(24)12-13-21(25)27-17(3)22(26)23-18-8-6-4-5-7-9-18/h10-11,14,17-18H,4-9,12-13H2,1-3H3,(H,23,26)/t17-/m1/s1