[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN2O4/c28-21-6-8-22(9-7-21)30-25(32)24(20-4-2-1-3-5-20)34-23(31)16-29-26(33)27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,24H,10-16H2,(H,29,33)(H,30,32)