[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-fluorophenyl)-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-fluoro-phenyl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H19ClFNO3 MolecularWeight: 327.778363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C=CC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)/C=C/C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C16H19ClFNO3/c1-11(2)7-8-19-15(20)10-22-16(21)6-4-12-3-5-14(18)13(17)9-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20)/b6-4+