methyl 4-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-[[(cyclohexylamino)-oxomethyl]amino]-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]benzoic acid methyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCNC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCNC(=O)NC2CCCCC2

InChI

InChI=1S/C20H29N3O4/c1-27-19(25)16-11-9-15(10-12-16)14-22-18(24)8-5-13-21-20(26)23-17-6-3-2-4-7-17/h9-12,17H,2-8,13-14H2,1H3,(H,22,24)(H2,21,23,26)