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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(3-fluoro-4-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-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-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-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4/c1-13-7-8-16(10-18(13)23)26-21(28)12-30-22(29)20(25-14(2)27)9-15-11-24-19-6-4-3-5-17(15)19/h3-8,10-11,20,24H,9,12H2,1-2H3,(H,25,27)(H,26,28)/t20-/m0/s1