[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C22H23N3O4/c1-14-7-9-17(10-8-14)25-21(27)13-29-22(28)20(24-15(2)26)11-16-12-23-19-6-4-3-5-18(16)19/h3-10,12,20,23H,11,13H2,1-2H3,(H,24,26)(H,25,27)/t20-/m0/s1