ethyl 8-[4-(azetidin-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate

Systemtic Name: ethyl 8-[4-(azetidin-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate Openeye Name: ethyl 8-[4-(azetidin-1-ylmethyl)phenyl]-8-oxo-octanoate CAS Name: 8-[4-(1-azetidinylmethyl)phenyl]-8-oxooctanoic acid ethyl ester IUPAC Name: ethyl 8-[4-(azetidin-1-ylmethyl)phenyl]-8-oxooctanoate Traditional Name: 8-[4-(azetidin-1-ylmethyl)phenyl]-8-keto-caprylic acid ethyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)CN2CCC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)CN2CCC2

InChI

InChI=1S/C20H29NO3/c1-2-24-20(23)9-6-4-3-5-8-19(22)18-12-10-17(11-13-18)16-21-14-7-15-21/h10-13H,2-9,14-16H2,1H3