[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C25H27N3O4/c1-25(2,31)14-11-18-7-9-19(10-8-18)17-32-24(30)27-15-12-20(13-16-27)28-22-6-4-3-5-21(22)26-23(28)29/h3-10,20,31H,12-13,15-17H2,1-2H3,(H,26,29)