(phenylmethyl) 3-[2-(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride

Systemtic Name: (phenylmethyl) 3-[2-(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride Openeye Name: benzyl 3-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride CAS Name: 3-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)phenyl]propanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 3-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride Traditional Name: 3-[2-(2-keto-4-methoxy-3-pyrrolin-1-yl)phenyl]propionic acid benzyl ester hydrochloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)N(C1)C2=CC=CC=C2CCC(=O)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=CC(=O)N(C1)C2=CC=CC=C2CCC(=O)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21NO4.ClH/c1-25-18-13-20(23)22(14-18)19-10-6-5-9-17(19)11-12-21(24)26-15-16-7-3-2-4-8-16;/h2-10,13H,11-12,14-15H2,1H3;1H