3-[[(E)-octadec-9-enoyl]amino]butanoic acid

Systemtic Name: 3-[[(E)-octadec-9-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-octadec-9-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-1-oxooctadec-9-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-octadec-9-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-octadec-9-enoyl]amino]butyric acid Formula: C22H41NO3 MolecularWeight: 367.56584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20(2)19-22(25)26/h10-11,20H,3-9,12-19H2,1-2H3,(H,23,24)(H,25,26)/b11-10+