methyl 4-acetamido-3-[[(4-oxidanylcyclohexyl)amino]methyl]benzoate

Systemtic Name: methyl 4-acetamido-3-[[(4-oxidanylcyclohexyl)amino]methyl]benzoate Openeye Name: methyl 4-acetamido-3-[[(4-hydroxycyclohexyl)amino]methyl]benzoate CAS Name: 4-acetamido-3-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-[[(4-hydroxycyclohexyl)amino]methyl]benzoate Traditional Name: 4-acetamido-3-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)CNC2CCC(CC2)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)CNC2CCC(CC2)O

InChI

InChI=1S/C17H24N2O4/c1-11(20)19-16-8-3-12(17(22)23-2)9-13(16)10-18-14-4-6-15(21)7-5-14/h3,8-9,14-15,18,21H,4-7,10H2,1-2H3,(H,19,20)