[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C27H28N2O3/c1-18-6-8-22(9-7-18)26-11-19-10-20(12-26)14-27(13-19,17-26)25(31)32-16-24(30)29-23-5-3-2-4-21(23)15-28/h2-9,19-20H,10-14,16-17H2,1H3,(H,29,30)