2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl]-4-methoxy-5-phenyl-pyridin-2-yl]oxymethyl]benzoic acid

Systemtic Name: 2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl]-4-methoxy-5-phenyl-pyridin-2-yl]oxymethyl]benzoic acid Openeye Name: 2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)allyl]-4-methoxy-5-phenyl-2-pyridyl]oxymethyl]benzoic acid CAS Name: 2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl]-4-methoxy-5-phenyl-2-pyridinyl]oxymethyl]benzoic acid IUPAC Name: 2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl]-4-methoxy-5-phenylpyridin-2-yl]oxymethyl]benzoic acid Traditional Name: 2-[[3-[2-carboxy-1-(6-methoxy-1,3-benzodioxol-5-yl)allyl]-4-methoxy-5-phenyl-2-pyridyl]oxymethyl]benzoic acid Formula: C32H27NO9 MolecularWeight: 569.55808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C(C3=C(C(=CN=C3OCC4=CC=CC=C4C(=O)O)C5=CC=CC=C5)OC)C(=C)C(=O)O)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C(C3=C(C(=CN=C3OCC4=CC=CC=C4C(=O)O)C5=CC=CC=C5)OC)C(=C)C(=O)O)OCO2

InChI

InChI=1S/C32H27NO9/c1-18(31(34)35)27(22-13-25-26(42-17-41-25)14-24(22)38-2)28-29(39-3)23(19-9-5-4-6-10-19)15-33-30(28)40-16-20-11-7-8-12-21(20)32(36)37/h4-15,27H,1,16-17H2,2-3H3,(H,34,35)(H,36,37)