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

Systemtic Name: [2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(4-propoxycarbonylanilino)ethyl] ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6/c1-2-7-29-20(26)17-3-5-18(6-4-17)24-19(25)13-30-21(27)22-9-15-8-16(10-22)12-23(28,11-15)14-22/h3-6,15-16,28H,2,7-14H2,1H3,(H,24,25)/t15-,16+,22?,23?