tert-butyl 4-[2-(7-methoxy-2-oxidanylidene-chromen-3-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(7-methoxy-2-oxidanylidene-chromen-3-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(7-methoxy-2-oxo-chromen-3-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(7-methoxy-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(7-methoxy-2-oxochromen-3-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-keto-7-methoxy-chromen-3-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC3=C(C=C(C=C3)OC)OC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC3=C(C=C(C=C3)OC)OC2=O

InChI

InChI=1S/C21H26N2O6/c1-21(2,3)29-20(26)23-9-7-22(8-10-23)18(24)12-15-11-14-5-6-16(27-4)13-17(14)28-19(15)25/h5-6,11,13H,7-10,12H2,1-4H3