(E)-3-(4-azanyl-2-octyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-azanyl-2-octyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-amino-2-octyl-phenyl)prop-2-enoic acid CAS Name: (E)-3-(4-amino-2-octylphenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-amino-2-octylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-amino-2-octyl-phenyl)acrylic acid Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-15-13-16(18)11-9-14(15)10-12-17(19)20/h9-13H,2-8,18H2,1H3,(H,19,20)/b12-10+