methyl 3-[(7-oxidanylideneazepan-2-yl)methyl]hex-5-enoate

Systemtic Name: methyl 3-[(7-oxidanylideneazepan-2-yl)methyl]hex-5-enoate Openeye Name: methyl 3-[(7-oxoazepan-2-yl)methyl]hex-5-enoate CAS Name: 3-[(7-oxo-2-azepanyl)methyl]-5-hexenoic acid methyl ester IUPAC Name: methyl 3-[(7-oxoazepan-2-yl)methyl]hex-5-enoate Traditional Name: 3-[(7-ketoazepan-2-yl)methyl]hex-5-enoic acid methyl ester Formula: C14H23NO3 MolecularWeight: 253.33732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC=C)CC1CCCCC(=O)N1

Isomeric SMILES

COC(=O)CC(CC=C)CC1CCCCC(=O)N1

InChI

InChI=1S/C14H23NO3/c1-3-6-11(10-14(17)18-2)9-12-7-4-5-8-13(16)15-12/h3,11-12H,1,4-10H2,2H3,(H,15,16)