[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-17(2)19-10-8-18(9-11-19)14-20(15-23)22(26)27-16-21(25)24-12-6-4-3-5-7-13-24/h8-11,14,17H,3-7,12-13,16H2,1-2H3/b20-14+