methyl 1-[4-(trifluoromethyl)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-[4-(trifluoromethyl)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-[4-(trifluoromethyl)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[4-(trifluoromethyl)-1-cyclohex-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[4-(trifluoromethyl)cyclohex-2-en-1-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-[4-(trifluoromethyl)cyclohex-2-en-1-yl]-9H-$b-carboline-3-carboxylic acid methyl ester Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4CCC(C=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4CCC(C=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2/c1-27-19(26)16-10-14-13-4-2-3-5-15(13)24-18(14)17(25-16)11-6-8-12(9-7-11)20(21,22)23/h2-6,8,10-12,24H,7,9H2,1H3