[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C29H34FNO4 MolecularWeight: 479.582963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=C(C=C(C=C5)OC)F

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=C(C=C(C=C5)OC)F

InChI

InChI=1S/C29H34FNO4/c1-19(2)31(22-7-5-4-6-8-22)26(32)17-35-27(33)29-15-20-11-21(16-29)14-28(13-20,18-29)24-10-9-23(34-3)12-25(24)30/h4-10,12,19-21H,11,13-18H2,1-3H3