(2-naphthalen-2-yl-2-oxidanylidene-ethyl) (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27NO4/c1-16(27)26-25-12-17-8-18(13-25)11-24(10-17,15-25)23(29)30-14-22(28)21-7-6-19-4-2-3-5-20(19)9-21/h2-7,9,17-18H,8,10-15H2,1H3,(H,26,27)/t17-,18+,24?,25?