3-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid Openeye Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid CAS Name: 3-methyl-2-[[(E)-1-oxooctadec-9-enyl]amino]benzoic acid IUPAC Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid Traditional Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]benzoic acid Formula: C26H41NO3 MolecularWeight: 415.60864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=CC=C1C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(C=CC=C1C)C(=O)O

InChI

InChI=1S/C26H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(28)27-25-22(2)19-18-20-23(25)26(29)30/h10-11,18-20H,3-9,12-17,21H2,1-2H3,(H,27,28)(H,29,30)/b11-10+