3-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-oxidanyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-oxidanyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]-2-hydroxy-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[4-[(2-butyl-3-benzofuranyl)methyl]phenyl]-2-hydroxyanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-hydroxyanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]-2-hydroxy-anilino]-3-keto-propionic acid Formula: C28H27NO5 MolecularWeight: 457.51768

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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)NC(=O)CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO5/c1-2-3-7-26-22(21-6-4-5-8-25(21)34-26)15-18-9-11-19(12-10-18)20-13-14-23(24(30)16-20)29-27(31)17-28(32)33/h4-6,8-14,16,30H,2-3,7,15,17H2,1H3,(H,29,31)(H,32,33)