[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H31NO4/c1-16(2)22(26-23(28)19-9-7-8-17(3)14-19)24(29)30-15-21(27)18-10-12-20(13-11-18)25(4,5)6/h7-14,16,22H,15H2,1-6H3,(H,26,28)/t22-/m0/s1