methyl 4-[(4-butoxyphenyl)amino]-2-methyl-quinoline-6-carboxylate chloride

Systemtic Name: methyl 4-[(4-butoxyphenyl)amino]-2-methyl-quinoline-6-carboxylate chloride Openeye Name: methyl 4-(4-butoxyanilino)-2-methyl-quinoline-6-carboxylate chloride CAS Name: 4-(4-butoxyanilino)-2-methyl-6-quinolinecarboxylic acid methyl ester chloride IUPAC Name: methyl 4-(4-butoxyanilino)-2-methylquinoline-6-carboxylate chloride Traditional Name: 4-(4-butoxyanilino)-2-methyl-quinoline-6-carboxylic acid methyl ester chloride Formula: C22H24ClN2O3- MolecularWeight: 399.89056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C(=O)OC)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C(=O)OC)C.[Cl-]

InChI

InChI=1S/C22H24N2O3.ClH/c1-4-5-12-27-18-9-7-17(8-10-18)24-21-13-15(2)23-20-11-6-16(14-19(20)21)22(25)26-3;/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24);1H/p-1