(E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[[(E)-octadec-9-enyl]amino]phenyl]acrylic acid Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1=CC=CC(=C1)C=CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)/C=C/C(=O)O

InChI

InChI=1S/C27H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-26-20-18-19-25(24-26)21-22-27(29)30/h9-10,18-22,24,28H,2-8,11-17,23H2,1H3,(H,29,30)/b10-9+,22-21+