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

Systemtic Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid Openeye Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-3-furyl]benzoic acid CAS Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-3-furanyl]benzoic acid IUPAC Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)furan-3-yl]benzoic acid Traditional Name: 4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-3-furyl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C3=CC(=CO3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C3=CC(=CO3)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C23H24N2O3/c1-22(2)9-10-23(3,4)20-19(22)24-12-17(25-20)18-11-16(13-28-18)14-5-7-15(8-6-14)21(26)27/h5-8,11-13H,9-10H2,1-4H3,(H,26,27)