tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[2-(2-methylolphenoxy)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OC3=CC=CC=C3CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OC3=CC=CC=C3CO

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)23-12-13-24(20(26)14-23)17-9-5-7-11-19(17)28-18-10-6-4-8-16(18)15-25/h4-11,25H,12-15H2,1-3H3