4-[(4-fluorophenyl)methyl]-3-methoxycarbonyl-benzoic acid

Systemtic Name: 4-[(4-fluorophenyl)methyl]-3-methoxycarbonyl-benzoic acid Openeye Name: 4-[(4-fluorophenyl)methyl]-3-methoxycarbonyl-benzoic acid CAS Name: 4-[(4-fluorophenyl)methyl]-3-methoxycarbonylbenzoic acid IUPAC Name: 4-[(4-fluorophenyl)methyl]-3-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-4-(4-fluorobenzyl)benzoic acid Formula: C16H13FO4 MolecularWeight: 288.270423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H13FO4/c1-21-16(20)14-9-12(15(18)19)5-4-11(14)8-10-2-6-13(17)7-3-10/h2-7,9H,8H2,1H3,(H,18,19)