[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C20H24N2O4/c1-25-18-9-7-8-16(13-18)12-17(14-21)20(24)26-15-19(23)22-10-5-3-2-4-6-11-22/h7-9,12-13H,2-6,10-11,15H2,1H3/b17-12+