methyl 4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(3-pyridylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(3-pyridylmethyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O3/c1-25-19(24)17-6-4-16(5-7-17)18(23)22-11-9-21(10-12-22)14-15-3-2-8-20-13-15/h2-8,13H,9-12,14H2,1H3