3-[[3-fluoranyl-4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methylamino]-3-methyl-butanoic acid

Systemtic Name: 3-[[3-fluoranyl-4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methylamino]-3-methyl-butanoic acid Openeye Name: 3-[[4-(5-benzylbenzofuran-2-yl)-3-fluoro-phenyl]methylamino]-3-methyl-butanoic acid CAS Name: 3-[[3-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]phenyl]methylamino]-3-methylbutanoic acid IUPAC Name: 3-[[4-(5-benzyl-1-benzofuran-2-yl)-3-fluorophenyl]methylamino]-3-methylbutanoic acid Traditional Name: 3-[[4-(5-benzylbenzofuran-2-yl)-3-fluoro-benzyl]amino]-3-methyl-butyric acid Formula: C27H26FNO3 MolecularWeight: 431.498643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)NCC1=CC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4)F

Isomeric SMILES

CC(C)(CC(=O)O)NCC1=CC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C27H26FNO3/c1-27(2,16-26(30)31)29-17-20-8-10-22(23(28)14-20)25-15-21-13-19(9-11-24(21)32-25)12-18-6-4-3-5-7-18/h3-11,13-15,29H,12,16-17H2,1-2H3,(H,30,31)