tert-butyl 2-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-azepane-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-azepane-1-carboxylate Openeye Name: tert-butyl 2-[(E)-4-methoxy-4-oxo-but-2-enyl]-7-oxo-azepane-1-carboxylate CAS Name: 2-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxo-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxoazepane-1-carboxylate Traditional Name: 2-keto-7-[(E)-4-keto-4-methoxy-but-2-enyl]azepane-1-carboxylic acid tert-butyl ester Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCCCC1=O)CC=CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CCCCC1=O)C/C=C/C(=O)OC

InChI

InChI=1S/C16H25NO5/c1-16(2,3)22-15(20)17-12(8-5-6-10-13(17)18)9-7-11-14(19)21-4/h7,11-12H,5-6,8-10H2,1-4H3/b11-7+