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

Systemtic Name: 4-azanyl-2-[[3-fluoranyl-4-[5-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[4-(5-benzylbenzofuran-2-yl)-3-fluoro-phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-fluoro-4-[5-(phenylmethyl)-2-benzofuranyl]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[4-(5-benzyl-1-benzofuran-2-yl)-3-fluorophenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[4-(5-benzylbenzofuran-2-yl)-3-fluoro-benzyl]amino]-4-keto-butyric acid Formula: C26H23FN2O4 MolecularWeight: 446.470223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CNC(CC(=O)N)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3)C4=C(C=C(C=C4)CNC(CC(=O)N)C(=O)O)F

InChI

InChI=1S/C26H23FN2O4/c27-21-12-18(15-29-22(26(31)32)14-25(28)30)6-8-20(21)24-13-19-11-17(7-9-23(19)33-24)10-16-4-2-1-3-5-16/h1-9,11-13,22,29H,10,14-15H2,(H2,28,30)(H,31,32)