tert-butyl 4-[4-bromanyl-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-bromanyl-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H30BrN3O6 MolecularWeight: 572.4476

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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)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32)