[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-[(2-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N(C)CC2=CC=CC=C2F)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N(C)CC2=CC=CC=C2F)C)C#N

InChI

InChI=1S/C21H22FN3O4/c1-13-16(14(2)24-21(28)17(13)10-23)8-9-20(27)29-12-19(26)25(3)11-15-6-4-5-7-18(15)22/h4-7H,8-9,11-12H2,1-3H3,(H,24,28)