4-[4-[[(E)-octadec-9-enoyl]amino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[[(E)-octadec-9-enoyl]amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[[(E)-octadec-9-enoyl]amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-[[(E)-1-oxooctadec-9-enyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[(E)-octadec-9-enoyl]amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[[(E)-octadec-9-enoyl]amino]phenyl]butyric acid Formula: C28H43NO4 MolecularWeight: 457.64532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C28H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)29-25-20-18-24(19-21-25)26(30)22-23-28(32)33/h9-10,18-21H,2-8,11-17,22-23H2,1H3,(H,29,31)(H,32,33)/b10-9+