3-naphthalen-1-yl-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propanoic acid

Systemtic Name: 3-naphthalen-1-yl-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propanoic acid Openeye Name: 3-(1-naphthyl)-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propanoic acid CAS Name: 3-(1-naphthalenyl)-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propanoic acid IUPAC Name: 3-naphthalen-1-yl-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propanoic acid Traditional Name: 3-(1-naphthyl)-2-[[(9E,12E)-octadeca-9,12-dienyl]amino]propionic acid Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCNC(CC1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCNC(CC1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C31H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-30(31(33)34)26-28-23-20-22-27-21-17-18-24-29(27)28/h6-7,9-10,17-18,20-24,30,32H,2-5,8,11-16,19,25-26H2,1H3,(H,33,34)/b7-6+,10-9+