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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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