(E)-3-[4-(octan-3-ylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(octan-3-ylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1-ethylhexylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(octan-3-ylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(octan-3-ylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1-ethylhexylamino)phenyl]acrylic acid Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCCCC(CC)NC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C17H25NO2/c1-3-5-6-7-15(4-2)18-16-11-8-14(9-12-16)10-13-17(19)20/h8-13,15,18H,3-7H2,1-2H3,(H,19,20)/b13-10+