methyl 2-(1-butyl-4-ethyl-pyrrol-2-yl)hexanoate

Systemtic Name: methyl 2-(1-butyl-4-ethyl-pyrrol-2-yl)hexanoate Openeye Name: methyl 2-(1-butyl-4-ethyl-pyrrol-2-yl)hexanoate CAS Name: 2-(1-butyl-4-ethyl-2-pyrrolyl)hexanoic acid methyl ester IUPAC Name: methyl 2-(1-butyl-4-ethylpyrrol-2-yl)hexanoate Traditional Name: 2-(1-butyl-4-ethyl-pyrrol-2-yl)hexanoic acid methyl ester Formula: C17H29NO2 MolecularWeight: 279.41766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=CN1CCCC)CC)C(=O)OC

Isomeric SMILES

CCCCC(C1=CC(=CN1CCCC)CC)C(=O)OC

InChI

InChI=1S/C17H29NO2/c1-5-8-10-15(17(19)20-4)16-12-14(7-3)13-18(16)11-9-6-2/h12-13,15H,5-11H2,1-4H3