2-adamantyl (4S)-4-(2-fluorophenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: 2-adamantyl (4S)-4-(2-fluorophenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: 2-adamantyl (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(2-fluorophenyl)-5-keto-2-methyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-adamantyl ester Formula: C30H28FNO3 MolecularWeight: 469.546623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3C4CC5CC(C4)CC3C5)C6=CC=CC=C6F)C(=O)C7=CC=CC=C72

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3C4CC5CC(C4)CC3C5)C6=CC=CC=C6F)C(=O)C7=CC=CC=C72

InChI

InChI=1S/C30H28FNO3/c1-15-24(30(34)35-29-18-11-16-10-17(13-18)14-19(29)12-16)25(22-8-4-5-9-23(22)31)26-27(32-15)20-6-2-3-7-21(20)28(26)33/h2-9,16-19,24-25,29H,10-14H2,1H3/t16?,17?,18?,19?,24?,25-,29?/m0/s1