3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(3-fluorophenyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(3-fluorophenyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(3-fluorophenyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-fluorophenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-fluorophenyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-(3-fluorophenyl)indole-6-carboxylic acid Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC(=CC=C3)F)C4CCCCC4

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC(=CC=C3)F)C4CCCCC4

InChI

InChI=1S/C25H27FN2O3/c1-27(2)22(29)15-28-21-14-18(25(30)31)11-12-20(21)23(16-7-4-3-5-8-16)24(28)17-9-6-10-19(26)13-17/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,30,31)