methyl 3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoate

Systemtic Name: methyl 3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoate Openeye Name: methyl 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoate CAS Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]ethyl]benzoate Traditional Name: 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoic acid methyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)O

InChI

InChI=1S/C26H35NO4/c1-3-4-5-6-7-8-15-24(28)17-16-22-13-10-14-23(27-22)19-25(29)20-11-9-12-21(18-20)26(30)31-2/h9-14,16-18,24-25,28-29H,3-8,15,19H2,1-2H3/b17-16+