5-ethyl-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(N1)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

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