[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H18ClFN2O3 MolecularWeight: 412.841323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H18ClFN2O3/c1-26(13-17-18(23)6-4-7-19(17)24)21(27)14-29-22(28)12-11-16-10-9-15-5-2-3-8-20(15)25-16/h2-12H,13-14H2,1H3/b12-11+