methyl 3-[4-(5-oxidanylidene-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-(5-oxidanylidene-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-(5-oxo-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride CAS Name: 3-[4-(5-oxo-2H-pyrrol-1-yl)phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-(5-oxo-2H-pyrrol-1-yl)phenyl]propanoate hydrochloride Traditional Name: 3-[4-(2-keto-3-pyrrolin-1-yl)phenyl]propionic acid methyl ester hydrochloride Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CC=CC2=O.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CC=CC2=O.Cl

InChI

InChI=1S/C14H15NO3.ClH/c1-18-14(17)9-6-11-4-7-12(8-5-11)15-10-2-3-13(15)16;/h2-5,7-8H,6,9-10H2,1H3;1H