[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

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