[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-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-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-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-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C)C

InChI

InChI=1S/C24H27N3O4/c1-4-17-9-7-8-15(2)23(17)27-22(29)14-31-24(30)21(26-16(3)28)12-18-13-25-20-11-6-5-10-19(18)20/h5-11,13,21,25H,4,12,14H2,1-3H3,(H,26,28)(H,27,29)/t21-/m0/s1