2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2-[2-(4-fluorophenyl)ethyl]benzoic acid CAS Name: 2-[2-(4-fluorophenyl)ethyl]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2-[2-(4-fluorophenyl)ethyl]benzoic acid Formula: C20H22FNO4 MolecularWeight: 359.391383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)CCC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)CCC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C20H22FNO4/c1-20(2,3)26-19(25)22-16-11-8-14(17(12-16)18(23)24)7-4-13-5-9-15(21)10-6-13/h5-6,8-12H,4,7H2,1-3H3,(H,22,25)(H,23,24)