1-(2-methylpropyl)-5-phenyl-2-propyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-5-phenyl-2-propyl-pyrrole-3-carboxylic acid Openeye Name: 1-isobutyl-5-phenyl-2-propyl-pyrrole-3-carboxylic acid CAS Name: 1-(2-methylpropyl)-5-phenyl-2-propyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)-5-phenyl-2-propylpyrrole-3-carboxylic acid Traditional Name: 1-isobutyl-5-phenyl-2-propyl-pyrrole-3-carboxylic acid Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-4-8-16-15(18(20)21)11-17(19(16)12-13(2)3)14-9-6-5-7-10-14/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,20,21)