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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C23H29FN2O4/c1-13-3-4-18(8-19(13)24)26-20(27)12-30-21(28)14(2)25-22(29)23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,14-17H,5-7,9-12H2,1-2H3,(H,25,29)(H,26,27)/t14-,15?,16?,17?,23?/m0/s1