[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-26-19-15-17(7-9-18(19)27-14-11-22)8-10-21(25)28-16-20(24)23-12-5-3-2-4-6-13-23/h7-10,15H,2-6,12-14,16H2,1H3/b10-8+