methyl 3-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 3-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate CAS Name: 3-amino-2-[[oxo(2-pyridinyl)methyl]-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate Traditional Name: 3-amino-2-[2-(4-phenylpiperazino)ethyl-picolinoyl-amino]benzoic acid methyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-34-26(33)21-10-7-11-22(27)24(21)31(25(32)23-12-5-6-13-28-23)19-16-29-14-17-30(18-15-29)20-8-3-2-4-9-20/h2-13H,14-19,27H2,1H3