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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H23N3O5/c1-27-17-9-5-6-14(11-17)10-15(12-21)19(25)28-13-18(24)23-20(26)22-16-7-3-2-4-8-16/h5-6,9-11,16H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)/b15-10+