tert-butyl 4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-chloro-2-methylphenoxy)butanoylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN3O5 MolecularWeight: 453.95958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32ClN3O5/c1-15-14-17(23)7-8-18(15)30-13-5-6-19(27)24-25-20(28)16-9-11-26(12-10-16)21(29)31-22(2,3)4/h7-8,14,16H,5-6,9-13H2,1-4H3,(H,24,27)(H,25,28)