[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-17(30-25(29)26-14-18-11-19(15-26)13-20(12-18)16-26)24(28)27-21-7-9-23(10-8-21)31-22-5-3-2-4-6-22/h2-10,17-20H,11-16H2,1H3,(H,27,28)/t17-,18?,19?,20?,26?/m1/s1