(5Z)-1-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-[5-(pyridin-4-ylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol

Systemtic Name: (5Z)-1-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-[5-(pyridin-4-ylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol Openeye Name: (5Z)-1-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-5-[5-(4-pyridylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol CAS Name: (5Z)-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-5-[5-(pyridin-4-ylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol IUPAC Name: (5Z)-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-5-[5-(pyridin-4-ylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol Traditional Name: (5Z)-1-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-5-[5-(4-pyridylmethylamino)pentylidene]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCCNCC3=CC=NC=C3)C2)O)O

Isomeric SMILES

CC#CCC(C)C(/C=C/C1C(CC2C1C/C(=C\CCCCNCC3=CC=NC=C3)/C2)O)O

InChI

InChI=1S/C28H40N2O2/c1-3-4-8-21(2)27(31)11-10-25-26-18-23(17-24(26)19-28(25)32)9-6-5-7-14-30-20-22-12-15-29-16-13-22/h9-13,15-16,21,24-28,30-32H,5-8,14,17-20H2,1-2H3/b11-10+,23-9-