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

Systemtic Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate CAS Name: 3-methoxy-2-[[oxo(2-pyridinyl)methyl]-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate Traditional Name: 3-methoxy-2-[2-(4-phenylpiperazino)ethyl-picolinoyl-amino]benzoic acid methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C27H30N4O4/c1-34-24-13-8-11-22(27(33)35-2)25(24)31(26(32)23-12-6-7-14-28-23)20-17-29-15-18-30(19-16-29)21-9-4-3-5-10-21/h3-14H,15-20H2,1-2H3