[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C28H33NO4/c1-18-8-19(2)10-23(9-18)29-26(31)25(22-6-4-3-5-7-22)33-24(30)16-27-12-20-11-21(13-27)15-28(32,14-20)17-27/h3-10,20-21,25,32H,11-17H2,1-2H3,(H,29,31)