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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C

InChI

InChI=1S/C22H29NO4/c1-14-3-15(2)5-18(4-14)23-19(24)12-27-20(25)11-21-7-16-6-17(8-21)10-22(26,9-16)13-21/h3-5,16-17,26H,6-13H2,1-2H3,(H,23,24)