[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenoxy)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenoxy)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-methoxyphenoxy)propanoate CAS Name: 2-(4-methoxyphenoxy)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate Traditional Name: 2-(4-methoxyphenoxy)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-14(28-19-5-3-18(26-2)4-6-19)21(25)27-13-20(24)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3,(H,23,24)