methyl 1-(2-methylpropyl)-5-phenyl-2-propyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-(2-methylpropyl)-5-phenyl-2-propyl-pyrrole-3-carboxylate Openeye Name: methyl 1-isobutyl-5-phenyl-2-propyl-pyrrole-3-carboxylate CAS Name: 1-(2-methylpropyl)-5-phenyl-2-propyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylpropyl)-5-phenyl-2-propylpyrrole-3-carboxylate Traditional Name: 1-isobutyl-5-phenyl-2-propyl-pyrrole-3-carboxylic acid methyl ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(N1CC(C)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C=C(N1CC(C)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H25NO2/c1-5-9-17-16(19(21)22-4)12-18(20(17)13-14(2)3)15-10-7-6-8-11-15/h6-8,10-12,14H,5,9,13H2,1-4H3