2-(pyridin-3-ylcarbonylamino)ethyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate hydrochloride

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate hydrochloride Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloro-4-quinolyl)amino]benzoate hydrochloride CAS Name: 2-[(7-chloro-4-quinolinyl)amino]benzoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate hydrochloride Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid 2-nicotinamidoethyl ester hydrochloride Formula: C24H20Cl2N4O3 MolecularWeight: 483.3466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCNC(=O)C2=CN=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.Cl

InChI

InChI=1S/C24H19ClN4O3.ClH/c25-17-7-8-18-21(9-11-27-22(18)14-17)29-20-6-2-1-5-19(20)24(31)32-13-12-28-23(30)16-4-3-10-26-15-16;/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30);1H