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

Systemtic Name: (E)-4-[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-carboxyethyl-[(E)-octadec-9-enyl]amino]-4-keto-but-2-enoic acid Formula: C25H43NO5 MolecularWeight: 437.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCC(=O)O)C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CCC(=O)O)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C25H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(22-20-25(30)31)23(27)18-19-24(28)29/h9-10,18-19H,2-8,11-17,20-22H2,1H3,(H,28,29)(H,30,31)/b10-9+,19-18+