methyl 2-oxidanyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]benzoate Openeye Name: methyl 2-hydroxy-5-[4-[4-(2-pyridyl)piperazin-1-yl]butanoyl]benzoate CAS Name: 2-hydroxy-5-[1-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]benzoate Traditional Name: 2-hydroxy-5-[4-[4-(2-pyridyl)piperazino]butanoyl]benzoic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3)O

InChI

InChI=1S/C21H25N3O4/c1-28-21(27)17-15-16(7-8-19(17)26)18(25)5-4-10-23-11-13-24(14-12-23)20-6-2-3-9-22-20/h2-3,6-9,15,26H,4-5,10-14H2,1H3