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

Systemtic Name: 2-diethylaminoethyl 4-[(2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)carbonylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[(1-allyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]benzoate hydrochloride CAS Name: 4-[[(2-hydroxy-4-oxo-1-prop-2-enyl-3-quinolinyl)-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate hydrochloride Traditional Name: 4-[(1-allyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C26H30ClN3O5 MolecularWeight: 499.9865

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CC=C)O.Cl

InChI

InChI=1S/C26H29N3O5.ClH/c1-4-15-29-21-10-8-7-9-20(21)23(30)22(25(29)32)24(31)27-19-13-11-18(12-14-19)26(33)34-17-16-28(5-2)6-3;/h4,7-14,32H,1,5-6,15-17H2,2-3H3,(H,27,31);1H