2-[[5-(4-tert-butylphenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 2-[[5-(4-tert-butylphenyl)benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid CAS Name: 2-[[[5-(4-tert-butylphenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 2-[[5-(4-tert-butylphenyl)benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propionic acid Formula: C29H28FNO5 MolecularWeight: 489.534723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C29H28FNO5/c1-29(2,3)22-9-6-19(7-10-22)20-8-13-26-21(15-20)16-24(36-26)17-35-28(34)31-25(27(32)33)14-18-4-11-23(30)12-5-18/h4-13,15-16,25H,14,17H2,1-3H3,(H,31,34)(H,32,33)