[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H21FN2O3 MolecularWeight: 332.369343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C=CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)/C=C/C1=CC(=CC=C1)F

InChI

InChI=1S/C18H21FN2O3/c1-12(2)18(4,11-20)21-17(23)13(3)24-16(22)9-8-14-6-5-7-15(19)10-14/h5-10,12-13H,1-4H3,(H,21,23)/b9-8+