methyl 3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxylate

Systemtic Name: methyl 3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxylate Openeye Name: methyl 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxylate CAS Name: 4-(2-methylanilino)-3-(1-oxobutyl)-8-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxylate Traditional Name: 3-butyryl-4-(o-toluidino)quinoline-8-carboxylic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2C(=O)OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2C(=O)OC

InChI

InChI=1S/C22H22N2O3/c1-4-8-19(25)17-13-23-20-15(10-7-11-16(20)22(26)27-3)21(17)24-18-12-6-5-9-14(18)2/h5-7,9-13H,4,8H2,1-3H3,(H,23,24)