[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C25H34N2O4/c1-15-6-17(3)21(7-16(15)2)22(28)14-31-23(29)4-5-26-24(30)27-25-11-18-8-19(12-25)10-20(9-18)13-25/h6-7,18-20H,4-5,8-14H2,1-3H3,(H2,26,27,30)