methyl 4-[[bis(pyridin-3-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[bis(pyridin-3-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[bis(3-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[bis(3-pyridinylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[bis(pyridin-3-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[bis(3-pyridylmethyl)amino]methyl]benzoic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-26-21(25)20-8-6-17(7-9-20)14-24(15-18-4-2-10-22-12-18)16-19-5-3-11-23-13-19/h2-13H,14-16H2,1H3