tert-butyl 4-[1-[3-[(2-chlorophenyl)methoxy]-5-methyl-phenoxy]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[3-[(2-chlorophenyl)methoxy]-5-methyl-phenoxy]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[3-[(2-chlorophenyl)methoxy]-5-methyl-phenoxy]ethyl]piperazine-1-carboxylate CAS Name: 4-[1-[3-[(2-chlorophenyl)methoxy]-5-methylphenoxy]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[3-[(2-chlorophenyl)methoxy]-5-methylphenoxy]ethyl]piperazine-1-carboxylate Traditional Name: 4-[1-[3-(2-chlorobenzyl)oxy-5-methyl-phenoxy]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)N2CCN(CC2)C(=O)OC(C)(C)C)OCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OC(C)N2CCN(CC2)C(=O)OC(C)(C)C)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C25H33ClN2O4/c1-18-14-21(30-17-20-8-6-7-9-23(20)26)16-22(15-18)31-19(2)27-10-12-28(13-11-27)24(29)32-25(3,4)5/h6-9,14-16,19H,10-13,17H2,1-5H3