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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)C=CC=N2

InChI

InChI=1S/C25H27N3O3/c1-2-31-22-11-9-19(17-7-5-13-27-25(17)22)24-18(6-3-4-12-26)20-14-16(15-23(29)30)8-10-21(20)28-24/h5,7-11,13-14,28H,2-4,6,12,15,26H2,1H3,(H,29,30)