[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C26H33FN2O4 MolecularWeight: 456.549623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H33FN2O4/c1-15-5-6-20(11-21(15)27)28-23(30)16(2)33-24(31)22-4-3-7-29(22)25(32)26-12-17-8-18(13-26)10-19(9-17)14-26/h5-6,11,16-19,22H,3-4,7-10,12-14H2,1-2H3,(H,28,30)