[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CN=CC=C4)OC

InChI

InChI=1S/C26H29N3O4/c1-31-23-11-10-22(24(25(23)32-2)33-26(30)21-9-6-12-27-17-21)19-29-15-13-28(14-16-29)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18-19H2,1-2H3