[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-phenoxypyridine-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c29-23(28-16-14-27(15-17-28)18-20-8-3-1-4-9-20)19-31-25(30)22-12-7-13-26-24(22)32-21-10-5-2-6-11-21/h1-13H,14-19H2