4-[bis(1H-pyrrol-2-yl)methyl]benzoate

Systemtic Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoate Openeye Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoate CAS Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoate IUPAC Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoate Traditional Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoate Formula: C16H13N2O2- MolecularWeight: 265.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(C2=CC=C(C=C2)C(=O)[O-])C3=CC=CN3

Isomeric SMILES

C1=CNC(=C1)C(C2=CC=C(C=C2)C(=O)[O-])C3=CC=CN3

InChI

InChI=1S/C16H14N2O2/c19-16(20)12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14/h1-10,15,17-18H,(H,19,20)/p-1