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

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H29NO4/c28-22(27-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21)16-31-24(29)25-12-18-11-19(13-25)15-26(30,14-18)17-25/h1-10,18-19,23,30H,11-17H2,(H,27,28)/t18-,19+,25?,26?