2-[5-cyano-2-methyl-3-(8-methylquinolin-4-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-methyl-3-(8-methylquinolin-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-methyl-3-(8-methyl-4-quinolyl)indol-1-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-3-(8-methyl-4-quinolinyl)-1-indolyl]acetic acid IUPAC Name: 2-[5-cyano-2-methyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-2-methyl-3-(8-methyl-4-quinolyl)indol-1-yl]acetic acid Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)C#N)CC(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)C#N)CC(=O)O)C

InChI

InChI=1S/C22H17N3O2/c1-13-4-3-5-17-16(8-9-24-22(13)17)21-14(2)25(12-20(26)27)19-7-6-15(11-23)10-18(19)21/h3-10H,12H2,1-2H3,(H,26,27)