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

Systemtic Name: methyl 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Openeye Name: methyl 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(2-pyridylmethyl)amino]benzoate CAS Name: 4-methoxy-2-[2-(4-phenyl-1-piperazinyl)ethyl-(2-pyridinylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Traditional Name: 4-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(=C(C=C1)C(=O)OC)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OC)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

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