6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-pyrrol-2-yl]nicotinic acid Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C3=CC=C(N3)C4=NC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C3=CC=C(N3)C4=NC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C22H24N4O2/c1-21(2)9-10-22(3,4)19-18(21)24-12-17(26-19)16-8-7-15(25-16)14-6-5-13(11-23-14)20(27)28/h5-8,11-12,25H,9-10H2,1-4H3,(H,27,28)