[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C21H30N2O5/c1-3-4-14-27-18-12-10-16(11-13-18)20(25)28-15(2)19(24)23-21(26)22-17-8-6-5-7-9-17/h10-13,15,17H,3-9,14H2,1-2H3,(H2,22,23,24,26)/t15-/m1/s1