but-2-ynyl N-[6-[1-oxidanyl-3-oxidanylidene-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: but-2-ynyl N-[6-[1-oxidanyl-3-oxidanylidene-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: but-2-ynyl N-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[6-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[1-hydroxy-3-keto-2-[(1R)-1-phenylethyl]isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamic acid but-2-ynyl ester Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3C(C)C5=CC=CC=C5)O

Isomeric SMILES

CC#CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3[C@H](C)C5=CC=CC=C5)O

InChI

InChI=1S/C28H24N4O4/c1-3-4-16-36-27(34)31-26-29-23-15-14-20(17-24(23)30-26)28(35)22-13-9-8-12-21(22)25(33)32(28)18(2)19-10-6-5-7-11-19/h5-15,17-18,35H,16H2,1-2H3,(H2,29,30,31,34)/t18-,28?/m1/s1