ethyl 8-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate

Systemtic Name: ethyl 8-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate Openeye Name: ethyl 8-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxo-octanoate CAS Name: 8-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxooctanoic acid ethyl ester IUPAC Name: ethyl 8-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxooctanoate Traditional Name: 8-keto-8-[2-(3-pyrrolin-1-ylmethyl)phenyl]caprylic acid ethyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CC=CC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=CC=C1CN2CC=CC2

InChI

InChI=1S/C21H29NO3/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/h7-12H,2-6,13-17H2,1H3