[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-15(20(25)24-8-7-16-3-5-19(28-2)6-4-16)29-21(26)22-10-17-9-18(11-22)13-23(27,12-17)14-22/h3-6,15,17-18,27H,7-14H2,1-2H3,(H,24,25)/t15-,17-,18+,22?,23?/m1/s1