2-[6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxyhexanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[6-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyridin-2-yl]oxyhexanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridinyl]oxy]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[6-[4-(1,3-benzodioxol-5-yl)-6-phenylpyridin-2-yl]oxyhexanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[6-[[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyridyl]oxy]hexanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C33H32N2O7 MolecularWeight: 568.61638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3)OCCCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3)OCCCCCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O7/c36-26-13-10-22(11-14-26)17-28(33(38)39)34-31(37)9-5-2-6-16-40-32-20-25(18-27(35-32)23-7-3-1-4-8-23)24-12-15-29-30(19-24)42-21-41-29/h1,3-4,7-8,10-15,18-20,28,36H,2,5-6,9,16-17,21H2,(H,34,37)(H,38,39)