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

Systemtic Name: 2-[[(E)-octadec-9-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-octadec-9-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-octadec-9-enoyl]amino]butanoic acid Traditional Name: 2-[[(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(CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20(4-2)22(25)26/h11-12,20H,3-10,13-19H2,1-2H3,(H,23,24)(H,25,26)/b12-11+