ethanoic acid; ethyl 4-azanylcyclohexane-1-carboxylate

Systemtic Name: ethanoic acid; ethyl 4-azanylcyclohexane-1-carboxylate Openeye Name: acetic acid; ethyl 4-aminocyclohexanecarboxylate CAS Name: acetic acid; 4-amino-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-aminocyclohexane-1-carboxylate Traditional Name: acetic acid; 4-aminocyclohexanecarboxylic acid ethyl ester Formula: C11H21NO4 MolecularWeight: 231.28874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)N.CC(=O)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)N.CC(=O)O

InChI

InChI=1S/C9H17NO2.C2H4O2/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2(3)4/h7-8H,2-6,10H2,1H3;1H3,(H,3,4)