[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(=CC1=CC=C(C=C1)OC)C#N

Isomeric SMILES

CC(C)CNC(=O)COC(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N

InChI

InChI=1S/C17H20N2O4/c1-12(2)10-19-16(20)11-23-17(21)14(9-18)8-13-4-6-15(22-3)7-5-13/h4-8,12H,10-11H2,1-3H3,(H,19,20)/b14-8+