1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methyl]azetidine-3-carboxylic acid Formula: C26H26F3NO2S MolecularWeight: 473.55035

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CN5CC(C5)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CN5CC(C5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C26H26F3NO2S/c27-26(28,29)22-11-18(7-8-21(22)17-4-2-1-3-5-17)24-12-19-10-16(6-9-23(19)33-24)13-30-14-20(15-30)25(31)32/h6-12,17,20H,1-5,13-15H2,(H,31,32)