ethyl (E)-2-azanyl-5-(7-oxidanylideneazepan-2-yl)pent-3-enoate

Systemtic Name: ethyl (E)-2-azanyl-5-(7-oxidanylideneazepan-2-yl)pent-3-enoate Openeye Name: ethyl (E)-2-amino-5-(7-oxoazepan-2-yl)pent-3-enoate CAS Name: (E)-2-amino-5-(7-oxo-2-azepanyl)-3-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-2-amino-5-(7-oxoazepan-2-yl)pent-3-enoate Traditional Name: (E)-2-amino-5-(7-ketoazepan-2-yl)pent-3-enoic acid ethyl ester Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O3/c1-2-18-13(17)11(14)8-5-7-10-6-3-4-9-12(16)15-10/h5,8,10-11H,2-4,6-7,9,14H2,1H3,(H,15,16)/b8-5+