3-fluoranyl-4-[(phenylmethyl)-propan-2-yl-amino]benzoic acid

Systemtic Name: 3-fluoranyl-4-[(phenylmethyl)-propan-2-yl-amino]benzoic acid Openeye Name: 4-[benzyl(isopropyl)amino]-3-fluoro-benzoic acid CAS Name: 3-fluoro-4-[(phenylmethyl)-propan-2-ylamino]benzoic acid IUPAC Name: 4-[benzyl(propan-2-yl)amino]-3-fluorobenzoic acid Traditional Name: 4-[benzyl(isopropyl)amino]-3-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)C(=O)O)F

Isomeric SMILES

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

InChI

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