tert-butyl 4-[2-chloranyl-4-(oxan-2-yloxy)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-chloranyl-4-(oxan-2-yloxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-tetrahydropyran-2-yloxy-phenyl)piperazine-1-carboxylate CAS Name: 4-[2-chloro-4-(2-oxanyloxy)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-4-(oxan-2-yloxy)phenyl]piperazine-1-carboxylate Traditional Name: 4-(2-chloro-4-tetrahydropyran-2-yloxy-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OC3CCCCO3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OC3CCCCO3)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-20(2,3)27-19(24)23-11-9-22(10-12-23)17-8-7-15(14-16(17)21)26-18-6-4-5-13-25-18/h7-8,14,18H,4-6,9-13H2,1-3H3