2-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethanoate

Systemtic Name: 2-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethanoate Openeye Name: 2-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]acetate CAS Name: 2-[4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]acetate IUPAC Name: 2-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]acetate Traditional Name: 2-[4-[(3S)-2-ketoazepan-3-yl]oxyphenyl]acetate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-13(17)9-10-4-6-11(7-5-10)19-12-3-1-2-8-15-14(12)18/h4-7,12H,1-3,8-9H2,(H,15,18)(H,16,17)/p-1/t12-/m0/s1