tert-butyl 4-[4-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-hydroxycyclohexyl)amino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCC(CC3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(28)25-14-12-24(13-15-25)18-8-4-16(5-9-18)20(27)23-17-6-10-19(26)11-7-17/h4-5,8-9,17,19,26H,6-7,10-15H2,1-3H3,(H,23,27)