(phenylmethyl) 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3,3-dipyridin-2-yl-propanoate

Systemtic Name: (phenylmethyl) 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3,3-dipyridin-2-yl-propanoate Openeye Name: benzyl 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridyl)propanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridinyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-dipyridin-2-ylpropanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridyl)propionic acid benzyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)OCC3=CC=CC=C3)C(C4=CC=CC=N4)(C5=CC=CC=N5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)OCC3=CC=CC=C3)C(C4=CC=CC=N4)(C5=CC=CC=N5)O

InChI

InChI=1S/C27H22N2O5/c30-26(32-17-19-8-2-1-3-9-19)25(20-12-13-21-22(16-20)34-18-33-21)27(31,23-10-4-6-14-28-23)24-11-5-7-15-29-24/h1-16,25,31H,17-18H2