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

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-14-8-9-19(15(2)10-14)26-22(28)13-30-23(29)21(25-16(3)27)11-17-12-24-20-7-5-4-6-18(17)20/h4-10,12,21,24H,11,13H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1