[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H34N2O4/c1-16(28)27-25-12-17-9-18(13-25)11-24(10-17,15-25)22(30)31-14-21(29)26-20-7-5-19(6-8-20)23(2,3)4/h5-8,17-18H,9-15H2,1-4H3,(H,26,29)(H,27,28)