3-methoxy-4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methoxy-4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-methoxy-4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid CAS Name: 3-methoxy-4-[[oxo-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)methyl]amino]benzoic acid IUPAC Name: 3-methoxy-4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid Traditional Name: 3-methoxy-4-[(5,5,8,8-tetramethyl-6,7-dihydroquinoxaline-2-carbonyl)amino]benzoic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-20(2)8-9-21(3,4)17-16(20)22-11-14(23-17)18(25)24-13-7-6-12(19(26)27)10-15(13)28-5/h6-7,10-11H,8-9H2,1-5H3,(H,24,25)(H,26,27)