methyl (2S)-3-(1H-indol-3-yl)-2-(quinoxalin-2-ylcarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(quinoxalin-2-ylcarbonylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-(quinoxaline-2-carbonylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo(2-quinoxalinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-(quinoxaline-2-carbonylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(quinoxaline-2-carbonylamino)propionic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N4O3/c1-28-21(27)18(10-13-11-22-15-7-3-2-6-14(13)15)25-20(26)19-12-23-16-8-4-5-9-17(16)24-19/h2-9,11-12,18,22H,10H2,1H3,(H,25,26)/t18-/m0/s1