ethyl 3-(4-chlorophenyl)carbonyl-5-fluoranyl-1-(2-pyridin-3-ylethyl)indole-2-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-5-fluoranyl-1-(2-pyridin-3-ylethyl)indole-2-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-5-fluoro-1-[2-(3-pyridyl)ethyl]indole-2-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-5-fluoro-1-[2-(3-pyridinyl)ethyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-5-fluoro-1-[2-(3-pyridyl)ethyl]indole-2-carboxylic acid ethyl ester Formula: C25H20ClFN2O3 MolecularWeight: 450.889303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CCC3=CN=CC=C3)C=CC(=C2)F)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CCC3=CN=CC=C3)C=CC(=C2)F)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClFN2O3/c1-2-32-25(31)23-22(24(30)17-5-7-18(26)8-6-17)20-14-19(27)9-10-21(20)29(23)13-11-16-4-3-12-28-15-16/h3-10,12,14-15H,2,11,13H2,1H3