methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methoxy-2-oxo-ethyl)benzoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[2-(2-methoxy-2-oxoethyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methoxy-2-oxoethyl)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-keto-2-methoxy-ethyl)benzoyl]amino]propionic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)CC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-28-20(25)12-14-7-3-4-9-17(14)21(26)24-19(22(27)29-2)11-15-13-23-18-10-6-5-8-16(15)18/h3-10,13,19,23H,11-12H2,1-2H3,(H,24,26)/t19-/m0/s1