methyl 4-butyl-2-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-oxidanylbutyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-butyl-2-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-oxidanylbutyl)pyrrole-3-carboxylate Openeye Name: methyl 4-butyl-1-(4-hydroxybutyl)-2-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-butyl-1-(4-hydroxybutyl)-2-(2-methoxy-2-oxoethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-butyl-1-(4-hydroxybutyl)-2-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 4-butyl-1-(4-hydroxybutyl)-2-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C17H27NO5 MolecularWeight: 325.39998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1C(=O)OC)CC(=O)OC)CCCCO

Isomeric SMILES

CCCCC1=CN(C(=C1C(=O)OC)CC(=O)OC)CCCCO

InChI

InChI=1S/C17H27NO5/c1-4-5-8-13-12-18(9-6-7-10-19)14(11-15(20)22-2)16(13)17(21)23-3/h12,19H,4-11H2,1-3H3