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

Systemtic Name: 3-(4-azanylbutyl)-2-(8-ethoxy-2-methyl-quinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methylquinolin-5-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(8-ethoxy-2-methyl-5-quinolyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-4-32-21-13-12-17(18-11-9-16(3)28-25(18)21)24-19(7-5-6-14-27)22-20(26(30)31)10-8-15(2)23(22)29-24/h8-13,29H,4-7,14,27H2,1-3H3,(H,30,31)