(E)-4-azanyl-6-(4-octylphenyl)hex-2-enoic acid

Systemtic Name: (E)-4-azanyl-6-(4-octylphenyl)hex-2-enoic acid Openeye Name: (E)-4-amino-6-(4-octylphenyl)hex-2-enoic acid CAS Name: (E)-4-amino-6-(4-octylphenyl)-2-hexenoic acid IUPAC Name: (E)-4-amino-6-(4-octylphenyl)hex-2-enoic acid Traditional Name: (E)-4-amino-6-(4-octylphenyl)hex-2-enoic acid Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C=CC(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(/C=C/C(=O)O)N

InChI

InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,15-16,19H,2-8,13-14,21H2,1H3,(H,22,23)/b16-15+