6-chloranyl-7-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(3-methyl-1-piperidyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(3-methyl-1-piperidinyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(3-methylpiperidino)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C17H17ClF3NO3 MolecularWeight: 375.76999

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C17H17ClF3NO3/c1-9-3-2-4-22(8-9)13-7-14-10(6-12(13)18)5-11(16(23)24)15(25-14)17(19,20)21/h5-7,9,15H,2-4,8H2,1H3,(H,23,24)