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

Systemtic Name: 3-(4-azanylbutyl)-2-(8-ethoxy-2-methyl-quinolin-5-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolinyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methylquinolin-5-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indole-5-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(N3)C=CC(=C4)C(=O)O)CCCCN)C=CC(=N2)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-3-31-22-12-10-18(19-9-7-15(2)27-24(19)22)23-17(6-4-5-13-26)20-14-16(25(29)30)8-11-21(20)28-23/h7-12,14,28H,3-6,13,26H2,1-2H3,(H,29,30)