[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(3-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(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

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