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

Systemtic Name: methyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate Openeye Name: methyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate CAS Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate Traditional Name: 4-[bis(1H-pyrrol-2-yl)methyl]benzoic acid methyl ester Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

InChI

InChI=1S/C17H16N2O2/c1-21-17(20)13-8-6-12(7-9-13)16(14-4-2-10-18-14)15-5-3-11-19-15/h2-11,16,18-19H,1H3