[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27BrN2O6 MolecularWeight: 471.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NC2CCCCC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NC2CCCCC2)OC

InChI

InChI=1S/C20H27BrN2O6/c1-3-9-28-18-15(21)10-13(11-16(18)27-2)19(25)29-12-17(24)23-20(26)22-14-7-5-4-6-8-14/h10-11,14H,3-9,12H2,1-2H3,(H2,22,23,24,26)