tert-butyl 4-[4-[2-azanyl-1-(4-chloranylphenoxy)-1-oxidanylidene-butan-2-yl]oxyphenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-azanyl-1-(4-chloranylphenoxy)-1-oxidanylidene-butan-2-yl]oxyphenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-amino-1-(4-chlorophenoxy)carbonyl-propoxy]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-amino-1-(4-chlorophenoxy)-1-oxobutan-2-yl]oxyphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-amino-1-(4-chlorophenoxy)-1-oxobutan-2-yl]oxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[1-amino-1-(4-chlorophenoxy)carbonyl-propoxy]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H32ClN3O5 MolecularWeight: 489.99168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC=C(C=C1)Cl)(N)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)OC1=CC=C(C=C1)Cl)(N)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32ClN3O5/c1-5-25(27,22(30)32-20-10-6-18(26)7-11-20)33-21-12-8-19(9-13-21)28-14-16-29(17-15-28)23(31)34-24(2,3)4/h6-13H,5,14-17,27H2,1-4H3