ethyl 8-[2-(azetidin-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate

Systemtic Name: ethyl 8-[2-(azetidin-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate Openeye Name: ethyl 8-[2-(azetidin-1-ylmethyl)phenyl]-8-oxo-octanoate CAS Name: 8-[2-(1-azetidinylmethyl)phenyl]-8-oxooctanoic acid ethyl ester IUPAC Name: ethyl 8-[2-(azetidin-1-ylmethyl)phenyl]-8-oxooctanoate Traditional Name: 8-[2-(azetidin-1-ylmethyl)phenyl]-8-keto-caprylic acid ethyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CCC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CCC2

InChI

InChI=1S/C20H29NO3/c1-2-24-20(23)13-6-4-3-5-12-19(22)18-11-8-7-10-17(18)16-21-14-9-15-21/h7-8,10-11H,2-6,9,12-16H2,1H3