ethyl 7-oxidanylidene-7-[2-(pyrrolidin-1-ylmethyl)phenyl]heptanoate

Systemtic Name: ethyl 7-oxidanylidene-7-[2-(pyrrolidin-1-ylmethyl)phenyl]heptanoate Openeye Name: ethyl 7-oxo-7-[2-(pyrrolidin-1-ylmethyl)phenyl]heptanoate CAS Name: 7-oxo-7-[2-(1-pyrrolidinylmethyl)phenyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-oxo-7-[2-(pyrrolidin-1-ylmethyl)phenyl]heptanoate Traditional Name: 7-keto-7-[2-(pyrrolidinomethyl)phenyl]enanthic acid ethyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3/c1-2-24-20(23)13-5-3-4-12-19(22)18-11-7-6-10-17(18)16-21-14-8-9-15-21/h6-7,10-11H,2-5,8-9,12-16H2,1H3