[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C22H29NO4/c24-20(23-22-12-16-9-17(13-22)11-18(10-16)14-22)15-27-21(25)7-4-8-26-19-5-2-1-3-6-19/h1-3,5-6,16-18H,4,7-15H2,(H,23,24)