tert-butyl 4-[4-bromanyl-2-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-bromanyl-2-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-[(8-methoxy-2-oxo-chromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[(8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-[(2-keto-8-methoxy-chromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28BrN3O6 MolecularWeight: 558.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

InChI

InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31)