(E)-1-(1-adamantyl)-3-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(2-pyridyloxymethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(2-pyridinyloxymethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(2-pyridyloxymethyl)phenyl]prop-2-en-1-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)COC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)COC5=CC=CC=N5

InChI

InChI=1S/C26H29NO3/c1-29-23-7-5-18(13-22(23)17-30-25-4-2-3-9-27-25)6-8-24(28)26-14-19-10-20(15-26)12-21(11-19)16-26/h2-9,13,19-21H,10-12,14-17H2,1H3/b8-6+