[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-hydroxy-2-phenylacetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-hydroxy-2-phenyl-acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C21H27NO4/c23-18(12-26-20(25)19(24)17-4-2-1-3-5-17)22-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16,19,24H,6-13H2,(H,22,23)/t14?,15?,16?,19-,21?/m1/s1