3-[4-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[[(E)-octadec-9-enyl]amino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[[(E)-octadec-9-enyl]amino]phenyl]propiolic acid Formula: C27H41NO2 MolecularWeight: 411.61994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-28-26-21-18-25(19-22-26)20-23-27(29)30/h9-10,18-19,21-22,28H,2-8,11-17,24H2,1H3,(H,29,30)/b10-9+