4-[[5-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-phenylmethoxy-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-phenylmethoxy-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-benzyloxy-5-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[5-[4-[(2-butyl-3-benzofuranyl)methyl]phenyl]-2-phenylmethoxyanilino]-4-oxobutanoic acid IUPAC Name: 4-[5-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-phenylmethoxyanilino]-4-oxobutanoic acid Traditional Name: 4-[2-benzoxy-5-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]anilino]-4-keto-butyric acid Formula: C36H35NO5 MolecularWeight: 561.6668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)NC(=O)CCC(=O)O

InChI

InChI=1S/C36H35NO5/c1-2-3-12-33-30(29-11-7-8-13-32(29)42-33)22-25-14-16-27(17-15-25)28-18-19-34(41-24-26-9-5-4-6-10-26)31(23-28)37-35(38)20-21-36(39)40/h4-11,13-19,23H,2-3,12,20-22,24H2,1H3,(H,37,38)(H,39,40)