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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(8-ethoxy-2-methyl-quinolin-5-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-2-methyl-5-quinolinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-2-methylquinolin-5-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(8-ethoxy-2-methyl-5-quinolyl)-1H-indole-4-carboxylic acid Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O3/c1-3-32-20-12-10-15(16-8-7-14(2)28-23(16)20)22-17(6-4-5-13-27)21-18(25(30)31)9-11-19(26)24(21)29-22/h7-12,29H,3-6,13,27H2,1-2H3,(H,30,31)