[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C24H31NO4/c1-14-4-16(3)20(5-15(14)2)21(26)13-29-22(27)12-25-23(28)24-9-17-6-18(10-24)8-19(7-17)11-24/h4-5,17-19H,6-13H2,1-3H3,(H,25,28)