2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-(3-pyrrol-1-ylpropoxy)ethanoic acid

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-(3-pyrrol-1-ylpropoxy)ethanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-(3-pyrrol-1-ylpropoxy)acetic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl]-2-[3-(1-pyrrolyl)propoxy]acetic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-2-(3-pyrrol-1-ylpropoxy)acetic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-(3-pyrrol-1-ylpropoxy)acetic acid Formula: C25H22BrClN2O3 MolecularWeight: 513.81078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OCCCN4C=CC=C4

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OCCCN4C=CC=C4

InChI

InChI=1S/C25H22BrClN2O3/c1-16-22(24(25(30)31)32-14-4-13-29-11-2-3-12-29)23(17-5-8-19(27)9-6-17)20-15-18(26)7-10-21(20)28-16/h2-3,5-12,15,24H,4,13-14H2,1H3,(H,30,31)