1,2,5-trimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 1,2,5-trimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylic acid Openeye Name: 4-(2-benzylbenzoyl)-1,2,5-trimethyl-pyrrole-3-carboxylic acid CAS Name: 1,2,5-trimethyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-(2-benzylbenzoyl)-1,2,5-trimethylpyrrole-3-carboxylic acid Traditional Name: 4-(2-benzylbenzoyl)-1,2,5-trimethyl-pyrrole-3-carboxylic acid Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1C)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3/c1-14-19(20(22(25)26)15(2)23(14)3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,25,26)