[2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[1-(4-methoxy-4-oxo-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-[1-(4-keto-4-methoxy-butyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C18H22N2O5/c1-12-10-14(13(2)20(12)9-5-7-17(22)24-3)16(21)11-25-18(23)15-6-4-8-19-15/h4,6,8,10,19H,5,7,9,11H2,1-3H3