propyl 2-[(7-chloranylquinolin-4-yl)amino]-3-dimethylphosphoryl-benzoate

Systemtic Name: propyl 2-[(7-chloranylquinolin-4-yl)amino]-3-dimethylphosphoryl-benzoate Openeye Name: propyl 2-[(7-chloro-4-quinolyl)amino]-3-dimethylphosphoryl-benzoate CAS Name: 2-[(7-chloro-4-quinolinyl)amino]-3-dimethylphosphorylbenzoic acid propyl ester IUPAC Name: propyl 2-[(7-chloroquinolin-4-yl)amino]-3-dimethylphosphorylbenzoate Traditional Name: 2-[(7-chloro-4-quinolyl)amino]-3-dimethylphosphoryl-benzoic acid propyl ester Formula: C21H22ClN2O3P MolecularWeight: 416.837741

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C3C=CC(=CC3=NC=C2)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C21H22ClN2O3P/c1-4-12-27-21(25)16-6-5-7-19(28(2,3)26)20(16)24-17-10-11-23-18-13-14(22)8-9-15(17)18/h5-11,13H,4,12H2,1-3H3,(H,23,24)