3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxamide; 3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxylic acid

Systemtic Name: 3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxamide; 3-butanoyl-4-[(2-methylphenyl)amino]quinoline-8-carboxylic acid Openeye Name: 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxamide; 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxylic acid CAS Name: 4-(2-methylanilino)-3-(1-oxobutyl)-8-quinolinecarboxamide; 4-(2-methylanilino)-3-(1-oxobutyl)-8-quinolinecarboxylic acid IUPAC Name: 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxamide; 3-butanoyl-4-(2-methylanilino)quinoline-8-carboxylic acid Traditional Name: 3-butyryl-4-(o-toluidino)quinoline-8-carboxamide; 3-butyryl-4-(o-toluidino)quinoline-8-carboxylic acid Formula: C42H41N5O5 MolecularWeight: 695.80544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2.C21H20N2O3/c1-3-7-18(25)16-12-23-19-14(9-6-10-15(19)21(22)26)20(16)24-17-11-5-4-8-13(17)2;1-3-7-18(24)16-12-22-19-14(9-6-10-15(19)21(25)26)20(16)23-17-11-5-4-8-13(17)2/h4-6,8-12H,3,7H2,1-2H3,(H2,22,26)(H,23,24);4-6,8-12H,3,7H2,1-2H3,(H,22,23)(H,25,26)