3-[4-(diethylamino)-2-methyl-phenyl]carbonylquinoxaline-2-carboxylic acid

Systemtic Name: 3-[4-(diethylamino)-2-methyl-phenyl]carbonylquinoxaline-2-carboxylic acid Openeye Name: 3-[4-(diethylamino)-2-methyl-benzoyl]quinoxaline-2-carboxylic acid CAS Name: 3-[[4-(diethylamino)-2-methylphenyl]-oxomethyl]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[4-(diethylamino)-2-methylbenzoyl]quinoxaline-2-carboxylic acid Traditional Name: 3-[4-(diethylamino)-2-methyl-benzoyl]quinoxaline-2-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2C(=O)O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2C(=O)O)C

InChI

InChI=1S/C21H21N3O3/c1-4-24(5-2)14-10-11-15(13(3)12-14)20(25)18-19(21(26)27)23-17-9-7-6-8-16(17)22-18/h6-12H,4-5H2,1-3H3,(H,26,27)