(E)-3-[4-(2-methyloct-1-en-3-ylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-methyloct-1-en-3-ylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1-isopropenylhexylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(2-methyloct-1-en-3-ylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-methyloct-1-en-3-ylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(1-amyl-2-methyl-allyl)amino]phenyl]acrylic acid Formula: C18H25NO2 MolecularWeight: 287.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2/c1-4-5-6-7-17(14(2)3)19-16-11-8-15(9-12-16)10-13-18(20)21/h8-13,17,19H,2,4-7H2,1,3H3,(H,20,21)/b13-10+