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

Systemtic Name: 3-(4-azanylbutyl)-2-(8-methoxy-2-methyl-quinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(8-methoxy-2-methylquinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(8-methoxy-2-methyl-5-quinolyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C4C=CC(=NC4=C(C=C3)OC)C)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C4C=CC(=NC4=C(C=C3)OC)C)CCCCN

InChI

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