(E)-4-[[(E)-octadec-9-enyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(E)-octadec-9-enyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(E)-octadec-9-enyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(E)-octadec-9-enyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(E)-octadec-9-enyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[(E)-octadec-9-enyl]amino]but-2-enoic acid Formula: C22H39NO3 MolecularWeight: 365.54996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24)(H,25,26)/b10-9+,19-18+