ethyl 1-(1-adamantylcarbonyl)-3-(4-fluorophenyl)carbonyl-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylate

Systemtic Name: ethyl 1-(1-adamantylcarbonyl)-3-(4-fluorophenyl)carbonyl-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylate Openeye Name: ethyl 1-(adamantane-1-carbonyl)-3-(4-fluorobenzoyl)-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-3-[(4-fluorophenyl)-oxomethyl]-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(adamantane-1-carbonyl)-3-(4-fluorobenzoyl)-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-3-(4-fluorobenzoyl)-2-phenyl-1,2,3,8a-tetrahydroindolizine-6-carboxylic acid ethyl ester Formula: C35H36FNO4 MolecularWeight: 553.663043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(C=C1)C(C(C2C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC(=O)C1=CN2C(C=C1)C(C(C2C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H36FNO4/c1-2-41-34(40)26-10-13-28-30(33(39)35-17-21-14-22(18-35)16-23(15-21)19-35)29(24-6-4-3-5-7-24)31(37(28)20-26)32(38)25-8-11-27(36)12-9-25/h3-13,20-23,28-31H,2,14-19H2,1H3