2-[3-(4-azanylbutyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-5-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-5-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(8-methoxyquinolin-5-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-5-quinolyl)-1H-indol-5-yl]acetic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)C=CC=N2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)C=CC=N2

InChI

InChI=1S/C24H25N3O3/c1-30-21-10-8-18(16-6-4-12-26-24(16)21)23-17(5-2-3-11-25)19-13-15(14-22(28)29)7-9-20(19)27-23/h4,6-10,12-13,27H,2-3,5,11,14,25H2,1H3,(H,28,29)