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

Systemtic Name: 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Openeye Name: 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid CAS Name: 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-3-pyrrolyl]benzoic acid IUPAC Name: 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Traditional Name: 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-3-yl]benzoic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=NC(=CN=C21)C3=CC(=CN3C)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=NC(=CN=C21)C3=CC(=CN3C)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C24H27N3O2/c1-23(2)10-11-24(3,4)21-20(23)25-13-18(26-21)19-12-17(14-27(19)5)15-6-8-16(9-7-15)22(28)29/h6-9,12-14H,10-11H2,1-5H3,(H,28,29)