[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (4-keto-4-mesidino-butyl) ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

InChI

InChI=1S/C26H36N2O4/c1-16-8-17(2)23(18(3)9-16)27-22(30)6-5-7-32-24(31)25-11-20-10-21(12-25)14-26(13-20,15-25)28-19(4)29/h8-9,20-21H,5-7,10-15H2,1-4H3,(H,27,30)(H,28,29)