[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-14-4-5-19(28-3)18(6-14)24-21(26)15(2)29-20(25)12-22-8-16-7-17(9-22)11-23(27,10-16)13-22/h4-6,15-17,27H,7-13H2,1-3H3,(H,24,26)