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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2CCCCCCC2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2CCCCCCC2)OCC#N

InChI

InChI=1S/C22H28N2O5/c1-27-20-15-17(9-11-19(20)28-14-13-23)10-12-22(26)29-16-21(25)24-18-7-5-3-2-4-6-8-18/h9-12,15,18H,2-8,14,16H2,1H3,(H,24,25)/b12-10+