[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C18H21NO6/c1-22-15-9-12(10-16(23-2)18(15)24-3)6-7-17(21)25-11-14(20)13-5-4-8-19-13/h4-5,8-10,19H,6-7,11H2,1-3H3