[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2CCCC2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2CCCC2)OCC

InChI

InChI=1S/C21H30N2O6/c1-4-12-28-17-11-10-15(13-18(17)27-5-2)20(25)29-14(3)19(24)23-21(26)22-16-8-6-7-9-16/h10-11,13-14,16H,4-9,12H2,1-3H3,(H2,22,23,24,26)