methyl 5-butyl-1-(3-oxidanylpropyl)pyrrole-2-carboxylate

Systemtic Name: methyl 5-butyl-1-(3-oxidanylpropyl)pyrrole-2-carboxylate Openeye Name: methyl 5-butyl-1-(3-hydroxypropyl)pyrrole-2-carboxylate CAS Name: 5-butyl-1-(3-hydroxypropyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-butyl-1-(3-hydroxypropyl)pyrrole-2-carboxylate Traditional Name: 5-butyl-1-(3-hydroxypropyl)pyrrole-2-carboxylic acid methyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CCCO)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(N1CCCO)C(=O)OC

InChI

InChI=1S/C13H21NO3/c1-3-4-6-11-7-8-12(13(16)17-2)14(11)9-5-10-15/h7-8,15H,3-6,9-10H2,1-2H3