ethyl 4-(2-adamantylamino)-1-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: ethyl 4-(2-adamantylamino)-1-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: ethyl 4-(2-adamantylamino)-1-[(4-chloro-2-fluoro-phenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: 4-(2-adamantylamino)-1-[(4-chloro-2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-adamantylamino)-1-[(4-chloro-2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: 4-(2-adamantylamino)-1-(4-chloro-2-fluoro-benzyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester Formula: C25H32ClFN2O2 MolecularWeight: 446.985183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCN(C1)CC2=C(C=C(C=C2)Cl)F)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=C(CCN(C1)CC2=C(C=C(C=C2)Cl)F)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H32ClFN2O2/c1-2-31-25(30)21-14-29(13-17-3-4-20(26)12-22(17)27)6-5-23(21)28-24-18-8-15-7-16(10-18)11-19(24)9-15/h3-4,12,15-16,18-19,24,28H,2,5-11,13-14H2,1H3