[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)OC

InChI

InChI=1S/C21H30N2O6/c1-4-28-13-16-12-15(10-11-18(16)27-3)20(25)29-14(2)19(24)23-21(26)22-17-8-6-5-7-9-17/h10-12,14,17H,4-9,13H2,1-3H3,(H2,22,23,24,26)/t14-/m0/s1