2-[4-[4-[(2-butyl-1-benzofuran-3-yl)carbonylamino]phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[4-[(2-butyl-1-benzofuran-3-yl)carbonylamino]phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-[(2-butylbenzofuran-3-carbonyl)amino]phenyl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-[[(2-butyl-3-benzofuranyl)-oxomethyl]amino]phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-[(2-butylbenzofuran-3-carbonyl)amino]phenyl]phenoxy]-3-phenyl-propionic acid Formula: C34H31NO5 MolecularWeight: 533.61364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C34H31NO5/c1-2-3-12-30-32(28-11-7-8-13-29(28)40-30)33(36)35-26-18-14-24(15-19-26)25-16-20-27(21-17-25)39-31(34(37)38)22-23-9-5-4-6-10-23/h4-11,13-21,31H,2-3,12,22H2,1H3,(H,35,36)(H,37,38)