[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-29-17-11-14(7-9-16(17)30-12-18(22)25)8-10-20(27)31-13-19(26)24-21(28)23-15-5-3-2-4-6-15/h7-11,15H,2-6,12-13H2,1H3,(H2,22,25)(H2,23,24,26,28)/b10-8+