3-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid CAS Name: 3-[[oxo-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)methyl]amino]benzoic acid IUPAC Name: 3-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C(=O)NC3=CC=CC(=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C(=O)NC3=CC=CC(=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C20H23N3O3/c1-19(2)8-9-20(3,4)16-15(19)21-11-14(23-16)17(24)22-13-7-5-6-12(10-13)18(25)26/h5-7,10-11H,8-9H2,1-4H3,(H,22,24)(H,25,26)