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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(8-methoxy-2-methyl-quinolin-5-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolyl)-1H-indol-5-yl]acetic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)OC

InChI

InChI=1S/C25H27N3O3/c1-15-6-8-19-18(9-11-22(31-2)25(19)27-15)24-17(5-3-4-12-26)20-13-16(14-23(29)30)7-10-21(20)28-24/h6-11,13,28H,3-5,12,14,26H2,1-2H3,(H,29,30)