[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenoxypropanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H27NO4/c23-19(14-26-20(24)6-7-25-18-4-2-1-3-5-18)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,15-17H,6-14H2,(H,22,23)