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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

InChI

InChI=1S/C21H27NO4/c1-14(26-18-5-3-2-4-6-18)20(24)25-13-19(23)22-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17H,7-13H2,1H3,(H,22,23)