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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C(C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C23H28N2O4/c1-4-5-8-18-10-12-20(13-11-18)25-21(26)15-29-23(28)17(3)24-22(27)19-9-6-7-16(2)14-19/h6-7,9-14,17H,4-5,8,15H2,1-3H3,(H,24,27)(H,25,26)/t17-/m0/s1