tert-butyl N-[1-[[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[[3-(3-bromopropoxy)-4-chloro-1-oxo-isochromen-7-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[3-(3-bromopropoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[3-(3-bromopropoxy)-4-chloro-1-oxoisochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[3-(3-bromopropoxy)-4-chloro-1-keto-isochromen-7-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H28BrClN2O6 MolecularWeight: 579.86732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

InChI

InChI=1S/C26H28BrClN2O6/c1-26(2,3)36-25(33)30-20(14-16-8-5-4-6-9-16)22(31)29-17-10-11-18-19(15-17)23(32)35-24(21(18)28)34-13-7-12-27/h4-6,8-11,15,20H,7,12-14H2,1-3H3,(H,29,31)(H,30,33)