[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H29NO4/c1-15(2)23(18-6-4-3-5-7-18)19(24)13-27-20(25)21-9-16-8-17(10-21)12-22(26,11-16)14-21/h3-7,15-17,26H,8-14H2,1-2H3/t16-,17+,21?,22?