tert-butyl 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]azepane-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]azepane-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]azepane-1-carboxylate CAS Name: 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]azepane-1-carboxylate Traditional Name: 2-[(E)-3-ethoxy-3-keto-prop-1-enyl]azepane-1-carboxylic acid tert-butyl ester Formula: C16H27NO4 MolecularWeight: 297.38988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CCCCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1CCCCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C16H27NO4/c1-5-20-14(18)11-10-13-9-7-6-8-12-17(13)15(19)21-16(2,3)4/h10-11,13H,5-9,12H2,1-4H3/b11-10+