ethyl 8-oxidanylidene-8-[3-(pyrrolidin-1-ylmethyl)phenyl]octanoate

Systemtic Name: ethyl 8-oxidanylidene-8-[3-(pyrrolidin-1-ylmethyl)phenyl]octanoate Openeye Name: ethyl 8-oxo-8-[3-(pyrrolidin-1-ylmethyl)phenyl]octanoate CAS Name: 8-oxo-8-[3-(1-pyrrolidinylmethyl)phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-oxo-8-[3-(pyrrolidin-1-ylmethyl)phenyl]octanoate Traditional Name: 8-keto-8-[3-(pyrrolidinomethyl)phenyl]caprylic acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC(=CC=C1)CN2CCCC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC(=CC=C1)CN2CCCC2

InChI

InChI=1S/C21H31NO3/c1-2-25-21(24)13-6-4-3-5-12-20(23)19-11-9-10-18(16-19)17-22-14-7-8-15-22/h9-11,16H,2-8,12-15,17H2,1H3