ethyl 8-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate

Systemtic Name: ethyl 8-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxidanylidene-octanoate Openeye Name: ethyl 8-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxo-octanoate CAS Name: 8-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxooctanoic acid ethyl ester IUPAC Name: ethyl 8-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxooctanoate Traditional Name: 8-keto-8-[3-(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=C1)CN2CC=CC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC(=CC=C1)CN2CC=CC2

InChI

InChI=1S/C21H29NO3/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/h7-11,16H,2-6,12-15,17H2,1H3