2-[2,5-dimethyl-3-(2-methylquinolin-4-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-(2-methylquinolin-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(2-methyl-4-quinolyl)indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-(2-methyl-4-quinolinyl)-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(2-methylquinolin-4-yl)indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-(2-methyl-4-quinolyl)indol-1-yl]acetic acid Formula: C22H20N2O2 MolecularWeight: 344.4064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC(=NC4=CC=CC=C43)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC(=NC4=CC=CC=C43)C)C)CC(=O)O

InChI

InChI=1S/C22H20N2O2/c1-13-8-9-20-18(10-13)22(15(3)24(20)12-21(25)26)17-11-14(2)23-19-7-5-4-6-16(17)19/h4-11H,12H2,1-3H3,(H,25,26)