[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C23H29NO5/c1-2-20(26)24-18-5-3-17(4-6-18)19(25)13-29-21(27)12-22-8-15-7-16(9-22)11-23(28,10-15)14-22/h3-6,15-16,28H,2,7-14H2,1H3,(H,24,26)