methyl 5-oxidanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 5-oxidanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 5-hydroxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate CAS Name: 5-hydroxy-2-[[oxo(2-pyridinyl)methyl]-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate Traditional Name: 5-hydroxy-2-[2-(4-phenylpiperazino)ethyl-picolinoyl-amino]benzoic acid methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)O)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)O)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H28N4O4/c1-34-26(33)22-19-21(31)10-11-24(22)30(25(32)23-9-5-6-12-27-23)18-15-28-13-16-29(17-14-28)20-7-3-2-4-8-20/h2-12,19,31H,13-18H2,1H3