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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H28N2O4/c1-15-7-6-8-17(13-15)21(27)24-16(2)22(28)29-14-20(26)25-19-11-9-18(10-12-19)23(3,4)5/h6-13,16H,14H2,1-5H3,(H,24,27)(H,25,26)/t16-/m0/s1