methyl 5-(2-methylpropyl)-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylate

Systemtic Name: methyl 5-(2-methylpropyl)-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylate Openeye Name: methyl 1-benzoyl-5-isobutyl-2H-pyrrole-5-carboxylate CAS Name: 1-benzoyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxylate Traditional Name: 1-benzoyl-2-isobutyl-3-pyrroline-2-carboxylic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H21NO3/c1-13(2)12-17(16(20)21-3)10-7-11-18(17)15(19)14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3