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

Systemtic Name: 3-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-phenylmethoxy-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-benzyloxy-4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[4-[(2-butyl-3-benzofuranyl)methyl]phenyl]-2-phenylmethoxyanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]-2-phenylmethoxyanilino]-3-oxopropanoic acid Traditional Name: 3-[2-benzoxy-4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]anilino]-3-keto-propionic acid Formula: C35H33NO5 MolecularWeight: 547.64022

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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)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C35H33NO5/c1-2-3-12-32-29(28-11-7-8-13-31(28)41-32)20-24-14-16-26(17-15-24)27-18-19-30(36-34(37)22-35(38)39)33(21-27)40-23-25-9-5-4-6-10-25/h4-11,13-19,21H,2-3,12,20,22-23H2,1H3,(H,36,37)(H,38,39)