methyl 1-ethyl-2-(4-methylphenyl)carbonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-ethyl-2-(4-methylphenyl)carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 1-ethyl-2-(4-methylbenzoyl)pyrrole-3-carboxylate CAS Name: 1-ethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-2-(4-methylbenzoyl)pyrrole-3-carboxylate Traditional Name: 1-ethyl-2-p-toluoyl-pyrrole-3-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1C(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCN1C=CC(=C1C(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C16H17NO3/c1-4-17-10-9-13(16(19)20-3)14(17)15(18)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3