[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C24H31N3O4/c1-16(2)22(26-23(29)20-9-7-6-8-17(20)3)24(30)31-15-21(28)25-14-18-10-12-19(13-11-18)27(4)5/h6-13,16,22H,14-15H2,1-5H3,(H,25,28)(H,26,29)/t22-/m0/s1