[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C27H31NO4/c1-18(25(30)28-23-10-6-5-9-22(23)21-7-3-2-4-8-21)32-24(29)16-26-12-19-11-20(13-26)15-27(31,14-19)17-26/h2-10,18-20,31H,11-17H2,1H3,(H,28,30)