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

Systemtic Name: 4-[1-pentyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-2-yl]benzoic acid Openeye Name: 4-[1-pentyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-2-yl]benzoic acid CAS Name: 4-[1-pentyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-2-pyrrolyl]benzoic acid IUPAC Name: 4-[1-pentyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-2-yl]benzoic acid Traditional Name: 4-[1-amyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-2-yl]benzoic acid Formula: C28H35N3O2 MolecularWeight: 445.5964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=C1C2=CN=C3C(=N2)C(CCC3(C)C)(C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCCN1C(=CC=C1C2=CN=C3C(=N2)C(CCC3(C)C)(C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H35N3O2/c1-6-7-8-17-31-22(19-9-11-20(12-10-19)26(32)33)13-14-23(31)21-18-29-24-25(30-21)28(4,5)16-15-27(24,2)3/h9-14,18H,6-8,15-17H2,1-5H3,(H,32,33)