5-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[[3-(p-tolyl)quinoxalin-2-yl]amino]pentanoic acid CAS Name: 5-[[3-(4-methylphenyl)-2-quinoxalinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[3-(p-tolyl)quinoxalin-2-yl]amino]valeric acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NC(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H19N3O3/c1-13-9-11-14(12-10-13)19-20(23-17(24)7-4-8-18(25)26)22-16-6-3-2-5-15(16)21-19/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,26)(H,22,23,24)