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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(8-ethoxy-2-methyl-quinolin-5-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-2-methylquinolin-5-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indol-5-yl]acetic acid Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-3-32-23-12-10-19(20-9-7-16(2)28-26(20)23)25-18(6-4-5-13-27)21-14-17(15-24(30)31)8-11-22(21)29-25/h7-12,14,29H,3-6,13,15,27H2,1-2H3,(H,30,31)