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

Systemtic Name: ethyl 8-oxidanylidene-8-[2-(pyrrolidin-1-ylmethyl)phenyl]octanoate Openeye Name: ethyl 8-oxo-8-[2-(pyrrolidin-1-ylmethyl)phenyl]octanoate CAS Name: 8-oxo-8-[2-(1-pyrrolidinylmethyl)phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-oxo-8-[2-(pyrrolidin-1-ylmethyl)phenyl]octanoate Traditional Name: 8-keto-8-[2-(pyrrolidinomethyl)phenyl]caprylic acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CCCC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CCCC2

InChI

InChI=1S/C21H31NO3/c1-2-25-21(24)14-6-4-3-5-13-20(23)19-12-8-7-11-18(19)17-22-15-9-10-16-22/h7-8,11-12H,2-6,9-10,13-17H2,1H3