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

Systemtic Name: (E)-3-[4-(hexadecylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(hexadecylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(hexadecylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(hexadecylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(cetylamino)phenyl]acrylic acid Formula: C25H41NO2 MolecularWeight: 387.59854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-26-24-19-16-23(17-20-24)18-21-25(27)28/h16-21,26H,2-15,22H2,1H3,(H,27,28)/b21-18+