[2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H20N2O5/c1-12-9-15(13(2)20(12)8-6-17(22)24-3)16(21)11-25-18(23)14-5-4-7-19-10-14/h4-5,7,9-10H,6,8,11H2,1-3H3