1-[(3-chlorophenyl)methyl]-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)-4-[4-(2,4-dichlorobenzyl)oxyphenyl]pyrrole-2-carboxylic acid Formula: C25H18Cl3NO3 MolecularWeight: 486.77432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H18Cl3NO3/c26-20-3-1-2-16(10-20)13-29-14-19(11-24(29)25(30)31)17-5-8-22(9-6-17)32-15-18-4-7-21(27)12-23(18)28/h1-12,14H,13,15H2,(H,30,31)