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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4C#N)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3/c27-15-20-6-4-5-9-22(20)28-23(29)16-31-24(30)26-13-18-10-19(14-26)12-25(11-18,17-26)21-7-2-1-3-8-21/h1-9,18-19H,10-14,16-17H2,(H,28,29)/t18-,19+,25?,26?