(1S,7S)-3-butyl-7-[4-(2-hydroxyethyloxy)phenyl]-1-pyridin-2-yl-hepta-3,4-diene-1,7-diol

Systemtic Name: (1S,7S)-3-butyl-7-[4-(2-hydroxyethyloxy)phenyl]-1-pyridin-2-yl-hepta-3,4-diene-1,7-diol Openeye Name: (1S,7S)-3-butyl-7-[4-(2-hydroxyethoxy)phenyl]-1-(2-pyridyl)hepta-3,4-diene-1,7-diol CAS Name: (1S,7S)-3-butyl-7-[4-(2-hydroxyethoxy)phenyl]-1-(2-pyridinyl)hepta-3,4-diene-1,7-diol IUPAC Name: (1S,7S)-3-butyl-7-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylhepta-3,4-diene-1,7-diol Traditional Name: (1S,7S)-3-butyl-7-[4-(2-hydroxyethoxy)phenyl]-1-(2-pyridyl)hepta-3,4-diene-1,7-diol Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C=CCC(C1=CC=C(C=C1)OCCO)O)CC(C2=CC=CC=N2)O

Isomeric SMILES

CCCCC(=C=CC[C@@H](C1=CC=C(C=C1)OCCO)O)C[C@@H](C2=CC=CC=N2)O

InChI

InChI=1S/C24H31NO4/c1-2-3-7-19(18-24(28)22-9-4-5-15-25-22)8-6-10-23(27)20-11-13-21(14-12-20)29-17-16-26/h4-6,9,11-15,23-24,26-28H,2-3,7,10,16-18H2,1H3/t8?,23-,24-/m0/s1