[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C23H29NO5/c1-15(25)24-7-6-16-2-4-19(5-3-16)20(26)13-29-21(27)22-9-17-8-18(10-22)12-23(28,11-17)14-22/h2-5,17-18,28H,6-14H2,1H3,(H,24,25)/t17-,18+,22?,23?