methyl 5-[[3-(cyclohexylcarbamoylamino)propanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[3-(cyclohexylcarbamoylamino)propanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[3-(cyclohexylcarbamoylamino)propanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(cyclohexylcarbamoylamino)propanoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[3-(cyclohexylcarbamoylamino)propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCNC(=O)NC2CCCCC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCNC(=O)NC2CCCCC2)C(=O)OC

InChI

InChI=1S/C20H29N3O5/c1-27-17-9-8-14(12-16(17)19(25)28-2)13-22-18(24)10-11-21-20(26)23-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,22,24)(H2,21,23,26)