1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-5-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-chloro-phenyl)methyl]-5-methyl-pyrrole-3-carboxylic acid CAS Name: 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-chloro-benzyl)-5-methyl-pyrrole-3-carboxylic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CN1CC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClNO3/c1-14-9-17(20(23)24)12-22(14)11-16-10-18(21)7-8-19(16)25-13-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,23,24)