methyl 4-[2-[5-(cyclohexylamino)-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(cyclohexylamino)-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(cyclohexylamino)-5-oxo-pentanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[5-(cyclohexylamino)-1,5-dioxopentoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(cyclohexylamino)-5-oxopentanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[5-(cyclohexylamino)-5-keto-pentanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2CCCCC2

InChI

InChI=1S/C21H28N2O6/c1-28-21(27)15-10-12-17(13-11-15)23-19(25)14-29-20(26)9-5-8-18(24)22-16-6-3-2-4-7-16/h10-13,16H,2-9,14H2,1H3,(H,22,24)(H,23,25)