2-[[4-[2-(4-pyrrol-1-ylphenyl)ethyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[2-(4-pyrrol-1-ylphenyl)ethyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[2-(4-pyrrol-1-ylphenyl)ethyl]anilino]benzoic acid CAS Name: 2-[4-[2-[4-(1-pyrrolyl)phenyl]ethyl]anilino]benzoic acid IUPAC Name: 2-[4-[2-(4-pyrrol-1-ylphenyl)ethyl]anilino]benzoic acid Traditional Name: 2-[4-[2-(4-pyrrol-1-ylphenyl)ethyl]anilino]benzoic acid Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H22N2O2/c28-25(29)23-5-1-2-6-24(23)26-21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)27-17-3-4-18-27/h1-6,9-18,26H,7-8H2,(H,28,29)