methyl 4-dodecanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-dodecanoyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-dodecanoyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-oxododecyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-dodecanoyl-1H-pyrrole-2-carboxylate Traditional Name: 4-lauroyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-11-12-17(20)15-13-16(19-14-15)18(21)22-2/h13-14,19H,3-12H2,1-2H3