[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C21H30N2O7/c1-27-16-11-14(12-17(28-2)20(16)29-3)9-10-19(25)30-13-18(24)23-21(26)22-15-7-5-4-6-8-15/h11-12,15H,4-10,13H2,1-3H3,(H2,22,23,24,26)