tert-butyl 4-[2-azanyl-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-azanyl-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-amino-1-(3-hydroxyphenyl)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-amino-1-(3-hydroxyphenyl)-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-amino-1-(3-hydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-1-(3-hydroxyphenyl)-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)O)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)O)C(=O)N

InChI

InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(18)22)12-5-4-6-13(21)11-12/h4-6,11,14,21H,7-10H2,1-3H3,(H2,18,22)