[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C24H29NO4/c1-14(2)21(25-23(27)19-10-8-7-9-11-19)24(28)29-18(6)22(26)20-13-16(4)15(3)12-17(20)5/h7-14,18,21H,1-6H3,(H,25,27)/t18?,21-/m0/s1