ethyl 4-acetamido-5-azanyl-3-(2-ethyl-1-oxidanyl-butyl)cyclohexene-1-carboxylate

Systemtic Name: ethyl 4-acetamido-5-azanyl-3-(2-ethyl-1-oxidanyl-butyl)cyclohexene-1-carboxylate Openeye Name: ethyl 4-acetamido-5-amino-3-(2-ethyl-1-hydroxy-butyl)cyclohexene-1-carboxylate CAS Name: 4-acetamido-5-amino-3-(2-ethyl-1-hydroxybutyl)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetamido-5-amino-3-(2-ethyl-1-hydroxybutyl)cyclohexene-1-carboxylate Traditional Name: 4-acetamido-5-amino-3-(2-ethyl-1-hydroxy-butyl)cyclohexene-1-carboxylic acid ethyl ester Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C=C(CC(C1NC(=O)C)N)C(=O)OCC)O

Isomeric SMILES

CCC(CC)C(C1C=C(CC(C1NC(=O)C)N)C(=O)OCC)O

InChI

InChI=1S/C17H30N2O4/c1-5-11(6-2)16(21)13-8-12(17(22)23-7-3)9-14(18)15(13)19-10(4)20/h8,11,13-16,21H,5-7,9,18H2,1-4H3,(H,19,20)