tert-butyl 4-[(4-chlorophenyl)-pyridin-2-yl-methyl]-2-(2-methoxyethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)-pyridin-2-yl-methyl]-2-(2-methoxyethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorophenyl)-(2-pyridyl)methyl]-2-(2-methoxyethyl)piperazine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)-(2-pyridinyl)methyl]-2-(2-methoxyethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]-2-(2-methoxyethyl)piperazine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)-(2-pyridyl)methyl]-2-(2-methoxyethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32ClN3O3 MolecularWeight: 445.98218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCOC)C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CCOC)C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C24H32ClN3O3/c1-24(2,3)31-23(29)28-15-14-27(17-20(28)12-16-30-4)22(21-7-5-6-13-26-21)18-8-10-19(25)11-9-18/h5-11,13,20,22H,12,14-17H2,1-4H3