5-fluoranyl-2-[(phenylmethyl)-propan-2-yl-amino]benzoic acid

Systemtic Name: 5-fluoranyl-2-[(phenylmethyl)-propan-2-yl-amino]benzoic acid Openeye Name: 2-[benzyl(isopropyl)amino]-5-fluoro-benzoic acid CAS Name: 5-fluoro-2-[(phenylmethyl)-propan-2-ylamino]benzoic acid IUPAC Name: 2-[benzyl(propan-2-yl)amino]-5-fluorobenzoic acid Traditional Name: 2-[benzyl(isopropyl)amino]-5-fluoro-benzoic acid Formula: C17H18FNO2 MolecularWeight: 287.328723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C17H18FNO2/c1-12(2)19(11-13-6-4-3-5-7-13)16-9-8-14(18)10-15(16)17(20)21/h3-10,12H,11H2,1-2H3,(H,20,21)