ethyl (E)-4-(7-oxidanylideneazepan-2-yl)but-2-enoate

Systemtic Name: ethyl (E)-4-(7-oxidanylideneazepan-2-yl)but-2-enoate Openeye Name: ethyl (E)-4-(7-oxoazepan-2-yl)but-2-enoate CAS Name: (E)-4-(7-oxo-2-azepanyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(7-oxoazepan-2-yl)but-2-enoate Traditional Name: (E)-4-(7-ketoazepan-2-yl)but-2-enoic acid ethyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1CCCCC(=O)N1

Isomeric SMILES

CCOC(=O)/C=C/CC1CCCCC(=O)N1

InChI

InChI=1S/C12H19NO3/c1-2-16-12(15)9-5-7-10-6-3-4-8-11(14)13-10/h5,9-10H,2-4,6-8H2,1H3,(H,13,14)/b9-5+