[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H24N2O3/c22-12-14-2-1-3-18(7-14)23-19(24)13-26-20(25)11-21-8-15-4-16(9-21)6-17(5-15)10-21/h1-3,7,15-17H,4-6,8-11,13H2,(H,23,24)