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

Systemtic Name: but-2-ynyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: but-2-ynyl N-[6-(2-benzyl-1-hydroxy-3-oxo-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[1-hydroxy-3-oxo-2-(phenylmethyl)-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(2-benzyl-1-hydroxy-3-keto-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamic acid but-2-ynyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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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)N3CC5=CC=CC=C5)O

Isomeric SMILES

CC#CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)O

InChI

InChI=1S/C27H22N4O4/c1-2-3-15-35-26(33)30-25-28-22-14-13-19(16-23(22)29-25)27(34)21-12-8-7-11-20(21)24(32)31(27)17-18-9-5-4-6-10-18/h4-14,16,34H,15,17H2,1H3,(H2,28,29,30,33)