tert-butyl 2-(2-ethoxycarbonylcyclohexen-1-yl)azepane-1-carboxylate

Systemtic Name: tert-butyl 2-(2-ethoxycarbonylcyclohexen-1-yl)azepane-1-carboxylate Openeye Name: tert-butyl 2-(2-ethoxycarbonylcyclohexen-1-yl)azepane-1-carboxylate CAS Name: 2-(2-ethoxycarbonyl-1-cyclohexenyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-ethoxycarbonylcyclohexen-1-yl)azepane-1-carboxylate Traditional Name: 2-(2-carbethoxycyclohexen-1-yl)azepane-1-carboxylic acid tert-butyl ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCC1)C2CCCCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(CCCC1)C2CCCCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C20H33NO4/c1-5-24-18(22)16-12-9-8-11-15(16)17-13-7-6-10-14-21(17)19(23)25-20(2,3)4/h17H,5-14H2,1-4H3