4-[4-methyl-1-oxidanylidene-1-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pentan-3-yl]benzoic acid

Systemtic Name: 4-[4-methyl-1-oxidanylidene-1-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pentan-3-yl]benzoic acid Openeye Name: 4-[1-isopropyl-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)propyl]benzoic acid CAS Name: 4-[4-methyl-1-oxo-1-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pentan-3-yl]benzoic acid IUPAC Name: 4-[4-methyl-1-oxo-1-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pentan-3-yl]benzoic acid Traditional Name: 4-[1-isopropyl-3-keto-3-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)propyl]benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)C1=CN=C2C(=N1)C(CCC2(C)C)(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C(CC(=O)C1=CN=C2C(=N1)C(CCC2(C)C)(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H32N2O3/c1-15(2)18(16-7-9-17(10-8-16)23(29)30)13-20(28)19-14-26-21-22(27-19)25(5,6)12-11-24(21,3)4/h7-10,14-15,18H,11-13H2,1-6H3,(H,29,30)