[3-butanoyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-8-yl]methyl 4-methoxybenzoate hydrochloride

Systemtic Name: [3-butanoyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-8-yl]methyl 4-methoxybenzoate hydrochloride Openeye Name: [3-butanoyl-4-(4-hydroxy-2-methyl-anilino)-8-quinolyl]methyl 4-methoxybenzoate hydrochloride CAS Name: 4-methoxybenzoic acid [4-(4-hydroxy-2-methylanilino)-3-(1-oxobutyl)-8-quinolinyl]methyl ester hydrochloride IUPAC Name: [3-butanoyl-4-(4-hydroxy-2-methylanilino)quinolin-8-yl]methyl 4-methoxybenzoate hydrochloride Traditional Name: 4-methoxybenzoic acid [3-butyryl-4-(4-hydroxy-2-methyl-anilino)-8-quinolyl]methyl ester hydrochloride Formula: C29H29ClN2O5 MolecularWeight: 521.00396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2COC(=O)C4=CC=C(C=C4)OC.Cl

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2COC(=O)C4=CC=C(C=C4)OC.Cl

InChI

InChI=1S/C29H28N2O5.ClH/c1-4-6-26(33)24-16-30-27-20(17-36-29(34)19-9-12-22(35-3)13-10-19)7-5-8-23(27)28(24)31-25-14-11-21(32)15-18(25)2;/h5,7-16,32H,4,6,17H2,1-3H3,(H,30,31);1H