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

Systemtic Name: 2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)O)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3/c1-13-18(19(21(24)25)14(2)22-13)20(23)17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3,(H,24,25)