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

Systemtic Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Openeye Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(2-pyridylmethyl)amino]benzoate CAS Name: 3-methoxy-2-[2-(4-phenyl-1-piperazinyl)ethyl-(2-pyridinylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Traditional Name: 3-methoxy-2-[2-(4-phenylpiperazino)ethyl-(2-pyridylmethyl)amino]benzoic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C27H32N4O3/c1-33-25-13-8-12-24(27(32)34-2)26(25)31(21-22-9-6-7-14-28-22)20-17-29-15-18-30(19-16-29)23-10-4-3-5-11-23/h3-14H,15-21H2,1-2H3