ethyl 6-chloranyl-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]quinoline-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]quinoline-2-carboxylate Openeye Name: ethyl 4-[2-(benzylamino)-2-oxo-ethoxy]-6-chloro-quinoline-2-carboxylate CAS Name: 6-chloro-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzylamino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate Traditional Name: 4-[2-(benzylamino)-2-keto-ethoxy]-6-chloro-quinaldic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4/c1-2-27-21(26)18-11-19(16-10-15(22)8-9-17(16)24-18)28-13-20(25)23-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,23,25)