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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C24H32N2O4/c1-15-3-4-20(7-16(15)2)21(27)14-30-22(28)5-6-25-23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-4,7,17-19H,5-6,8-14H2,1-2H3,(H2,25,26,29)