ethyl 4-[[5-(2,5-dimethoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)-3-pyridyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2,5-dimethoxyphenyl)-3-pyridinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2,5-dimethoxyphenyl)pyridin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(2,5-dimethoxyphenyl)-3-pyridyl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CN=CC(=C2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-4-28-21(25)24-9-7-23(8-10-24)15-16-11-17(14-22-13-16)19-12-18(26-2)5-6-20(19)27-3/h5-6,11-14H,4,7-10,15H2,1-3H3