[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C26H29NO4/c28-23(27-22-9-5-4-8-21(22)20-6-2-1-3-7-20)16-31-24(29)15-25-11-18-10-19(12-25)14-26(30,13-18)17-25/h1-9,18-19,30H,10-17H2,(H,27,28)/t18-,19+,25?,26?