2-[(2,3-dimethylquinoxalin-6-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(2,3-dimethylquinoxalin-6-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)N=C1C

InChI

InChI=1S/C22H20N4O3/c1-12-13(2)25-19-9-14(7-8-18(19)24-12)21(27)26-20(22(28)29)10-15-11-23-17-6-4-3-5-16(15)17/h3-9,11,20,23H,10H2,1-2H3,(H,26,27)(H,28,29)