3-(4-azanylbutyl)-2-(8-ethoxyquinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(8-ethoxyquinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(8-ethoxy-5-quinolyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(8-ethoxy-5-quinolinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(8-ethoxyquinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(8-ethoxy-5-quinolyl)-7-methyl-1H-indole-4-carboxylic 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(C=CC(=C4N3)C)C(=O)O)CCCCN)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)C3=C(C4=C(C=CC(=C4N3)C)C(=O)O)CCCCN)C=CC=N2

InChI

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