6-chloranyl-7-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(3,5-dimethyl-1-piperidyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(3,5-dimethyl-1-piperidinyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(3,5-dimethylpiperidino)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H19ClF3NO3 MolecularWeight: 389.79657

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)C

InChI

InChI=1S/C18H19ClF3NO3/c1-9-3-10(2)8-23(7-9)14-6-15-11(5-13(14)19)4-12(17(24)25)16(26-15)18(20,21)22/h4-6,9-10,16H,3,7-8H2,1-2H3,(H,24,25)