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

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C28H30FNO4 MolecularWeight: 463.540503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCC6=CC=CC=C65)F

Isomeric SMILES

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCC6=CC=CC=C65)F

InChI

InChI=1S/C28H30FNO4/c1-33-21-6-7-22(23(29)11-21)27-12-18-10-19(13-27)15-28(14-18,17-27)26(32)34-16-25(31)30-9-8-20-4-2-3-5-24(20)30/h2-7,11,18-19H,8-10,12-17H2,1H3