methyl 4-[[4-(2-phenoxypyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-phenoxypyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-phenoxypyridine-3-carbonyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[oxo-(2-phenoxy-3-pyridinyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-phenoxypyridine-3-carbonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-phenoxynicotinoyl)piperazino]methyl]benzoic acid methyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c1-31-25(30)20-11-9-19(10-12-20)18-27-14-16-28(17-15-27)24(29)22-8-5-13-26-23(22)32-21-6-3-2-4-7-21/h2-13H,14-18H2,1H3