2-diethylaminoethyl 4-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[(1-butyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[(1-butyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]benzoate hydrochloride CAS Name: 4-[[(1-butyl-2-hydroxy-4-oxo-3-quinolinyl)-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[(1-butyl-2-hydroxy-4-oxoquinoline-3-carbonyl)amino]benzoate hydrochloride Traditional Name: 4-[(1-butyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C27H34ClN3O5 MolecularWeight: 516.02896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)C(=O)OCCN(CC)CC.Cl

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)C(=O)OCCN(CC)CC.Cl

InChI

InChI=1S/C27H33N3O5.ClH/c1-4-7-16-30-22-11-9-8-10-21(22)24(31)23(26(30)33)25(32)28-20-14-12-19(13-15-20)27(34)35-18-17-29(5-2)6-3;/h8-15,33H,4-7,16-18H2,1-3H3,(H,28,32);1H