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

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(2-methylquinolin-5-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(2-methyl-5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(2-methylquinolin-5-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid Formula: C24H25N3O2 MolecularWeight: 387.4742

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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=CC=C3)C)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2/c1-14-9-11-19(24(28)29)21-18(6-3-4-13-25)23(27-22(14)21)17-7-5-8-20-16(17)12-10-15(2)26-20/h5,7-12,27H,3-4,6,13,25H2,1-2H3,(H,28,29)