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

Systemtic Name: 4-[3-(4-fluorophenyl)propanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[3-(4-fluorophenyl)propanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[3-(4-fluorophenyl)-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoic acid Traditional Name: 4-[3-(4-fluorophenyl)propanoylamino]-3-methyl-benzoic acid Formula: C17H16FNO3 MolecularWeight: 301.312243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO3/c1-11-10-13(17(21)22)5-8-15(11)19-16(20)9-4-12-2-6-14(18)7-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)(H,21,22)