methyl 2-[1-(hexanoylamino)-4-(methylcarbamoylamino)cyclohexyl]ethanoate

Systemtic Name: methyl 2-[1-(hexanoylamino)-4-(methylcarbamoylamino)cyclohexyl]ethanoate Openeye Name: methyl 2-[1-(hexanoylamino)-4-(methylcarbamoylamino)cyclohexyl]acetate CAS Name: 2-[4-(methylcarbamoylamino)-1-(1-oxohexylamino)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(hexanoylamino)-4-(methylcarbamoylamino)cyclohexyl]acetate Traditional Name: 2-[1-(caproylamino)-4-(methylcarbamoylamino)cyclohexyl]acetic acid methyl ester Formula: C17H31N3O4 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1(CCC(CC1)NC(=O)NC)CC(=O)OC

Isomeric SMILES

CCCCCC(=O)NC1(CCC(CC1)NC(=O)NC)CC(=O)OC

InChI

InChI=1S/C17H31N3O4/c1-4-5-6-7-14(21)20-17(12-15(22)24-3)10-8-13(9-11-17)19-16(23)18-2/h13H,4-12H2,1-3H3,(H,20,21)(H2,18,19,23)