[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O4/c1-14-2-3-18(9-19(14)24)26-20(28)13-31-21(29)4-5-25-22(30)27-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-3,9,15-17H,4-8,10-13H2,1H3,(H,26,28)(H2,25,27,30)