4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Openeye Name: 4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid CAS Name: 4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-3-pyrrolyl]benzoic acid IUPAC Name: 4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Traditional Name: 4-[1-ethyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C2=CN=C3C(=N2)C(CCC3(C)C)(C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCN1C=C(C=C1C2=CN=C3C(=N2)C(CCC3(C)C)(C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H29N3O2/c1-6-28-15-18(16-7-9-17(10-8-16)23(29)30)13-20(28)19-14-26-21-22(27-19)25(4,5)12-11-24(21,2)3/h7-10,13-15H,6,11-12H2,1-5H3,(H,29,30)