2-[3-[1-(3-azanylpropyl)indol-3-yl]-2-oxidanylidene-quinoxalin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-(3-azanylpropyl)indol-3-yl]-2-oxidanylidene-quinoxalin-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(3-aminopropyl)indol-3-yl]-2-oxo-quinoxalin-1-yl]acetic acid CAS Name: 2-[3-[1-(3-aminopropyl)-3-indolyl]-2-oxo-1-quinoxalinyl]acetic acid IUPAC Name: 2-[3-[1-(3-aminopropyl)indol-3-yl]-2-oxoquinoxalin-1-yl]acetic acid Traditional Name: 2-[3-[1-(3-aminopropyl)indol-3-yl]-2-keto-quinoxalin-1-yl]acetic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCN)C3=NC4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCN)C3=NC4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C21H20N4O3/c22-10-5-11-24-12-15(14-6-1-3-8-17(14)24)20-21(28)25(13-19(26)27)18-9-4-2-7-16(18)23-20/h1-4,6-9,12H,5,10-11,13,22H2,(H,26,27)