[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N3O4/c27-19(25-23-11-15-8-16(12-23)10-17(9-15)13-23)14-29-21(28)7-6-20-24-22(26-30-20)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2,(H,25,27)