2-[3-(4-azanylbutyl)-2-(6-methoxyquinolin-5-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(6-methoxyquinolin-5-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-5-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-5-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(6-methoxyquinolin-5-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-5-quinolyl)-1H-indol-5-yl]acetic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N=CC=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

COC1=C(C2=C(C=C1)N=CC=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

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