2-(4-chloranyl-2-fluoranyl-phenyl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-phenyl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 2-(4-chloro-2-fluoro-phenyl)-3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 2-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 2-(4-chloro-2-fluoro-phenyl)-3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C27H28ClFN2O4 MolecularWeight: 498.973623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C27H28ClFN2O4/c28-19-7-9-20(22(29)15-19)26-25(17-4-2-1-3-5-17)21-8-6-18(27(33)34)14-23(21)31(26)16-24(32)30-10-12-35-13-11-30/h6-9,14-15,17H,1-5,10-13,16H2,(H,33,34)