2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(E)-2-methyloctadec-9-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-2-methyloctadec-9-enoyl]amino]acetic acid CAS Name: 2-[[(E)-2-methyl-1-oxooctadec-9-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-2-methyloctadec-9-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-2-methyloctadec-9-enoyl]amino]acetic acid Formula: C21H39NO3 MolecularWeight: 353.53926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C)C(=O)NCC(=O)O

InChI

InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)21(25)22-18-20(23)24/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,25)(H,23,24)/b11-10+