methyl 3-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]carbonylbenzoate

Systemtic Name: methyl 3-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]carbonylbenzoate Openeye Name: methyl 3-[6-[(E)-3-hydroxyundec-1-enyl]pyridine-2-carbonyl]benzoate CAS Name: 3-[[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-[(E)-3-hydroxyundec-1-enyl]pyridine-2-carbonyl]benzoate Traditional Name: 3-[6-[(E)-3-hydroxyundec-1-enyl]picolinoyl]benzoic acid methyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-3-4-5-6-7-8-14-22(27)17-16-21-13-10-15-23(26-21)24(28)19-11-9-12-20(18-19)25(29)30-2/h9-13,15-18,22,27H,3-8,14H2,1-2H3/b17-16+