methyl 4-(1-oxidanyldodecyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(1-oxidanyldodecyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(1-hydroxydodecyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(1-hydroxydodecyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(1-hydroxydodecyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(1-hydroxydodecyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H31NO3 MolecularWeight: 309.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CNC(=C1)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCC(C1=CNC(=C1)C(=O)OC)O

InChI

InChI=1S/C18H31NO3/c1-3-4-5-6-7-8-9-10-11-12-17(20)15-13-16(19-14-15)18(21)22-2/h13-14,17,19-20H,3-12H2,1-2H3