tert-butyl 4-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(7-acetamido-2-oxo-chromen-4-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-acetamido-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-acetamido-2-oxochromen-4-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-acetamido-2-keto-chromen-4-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-14(25)22-16-5-6-17-15(11-19(26)28-18(17)12-16)13-23-7-9-24(10-8-23)20(27)29-21(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,25)