1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]tetrazol-2-yl]methyl]cyclopropanecarboxylic acid CAS Name: 1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]-2-tetrazolyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]tetrazol-2-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[[5-[3-[3-(4-fluorophenyl)prop-1-ynyl]phenyl]tetrazol-2-yl]methyl]cyclopropanecarboxylic acid Formula: C21H17FN4O2 MolecularWeight: 376.383683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2N=C(N=N2)C3=CC=CC(=C3)C#CCC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CC1(CN2N=C(N=N2)C3=CC=CC(=C3)C#CCC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H17FN4O2/c22-18-9-7-15(8-10-18)3-1-4-16-5-2-6-17(13-16)19-23-25-26(24-19)14-21(11-12-21)20(27)28/h2,5-10,13H,3,11-12,14H2,(H,27,28)