methyl 5-[[(E)-octadec-9-enoyl]amino]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[(E)-octadec-9-enoyl]amino]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[[(E)-octadec-9-enoyl]amino]benzoate CAS Name: 2-hydroxy-5-[[(E)-1-oxooctadec-9-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[(E)-octadec-9-enoyl]amino]benzoate Traditional Name: 2-hydroxy-5-[[(E)-octadec-9-enoyl]amino]benzoic acid methyl ester Formula: C26H41NO4 MolecularWeight: 431.60804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC(=C(C=C1)O)C(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC(=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)27-22-19-20-24(28)23(21-22)26(30)31-2/h10-11,19-21,28H,3-9,12-18H2,1-2H3,(H,27,29)/b11-10+