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

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO3/c1-18-8-9-19(2)24(10-18)29-27(31)26(23-6-4-3-5-7-23)32-25(30)17-28-14-20-11-21(15-28)13-22(12-20)16-28/h3-10,20-22,26H,11-17H2,1-2H3,(H,29,31)/t20?,21?,22?,26-,28?/m0/s1