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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H32N2O4/c1-16(2)22(27-23(29)18-10-12-19(13-11-18)25(4,5)6)24(30)31-15-21(28)26-20-9-7-8-17(3)14-20/h7-14,16,22H,15H2,1-6H3,(H,26,28)(H,27,29)/t22-/m0/s1