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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

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