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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-13(2)8-9-20-17(21)12-24-18(22)15(11-19)10-14-4-6-16(23-3)7-5-14/h4-7,10,13H,8-9,12H2,1-3H3,(H,20,21)/b15-10+