[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[ethyl(1-naphthyl)amino]-2-keto-ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C27H32N2O4/c1-3-29(23-10-6-8-21-7-4-5-9-22(21)23)24(31)16-33-25(32)26-12-19-11-20(13-26)15-27(14-19,17-26)28-18(2)30/h4-10,19-20H,3,11-17H2,1-2H3,(H,28,30)