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

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

Systemtic Name:2-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxyethanoic acid
Openeye Name:2-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxyacetic acid
CAS Name:2-[(E)-3-[4-(hexadecylamino)phenyl]-1-oxoprop-2-enoxy]acetic acid
IUPAC Name:2-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxyacetic acid
Traditional Name:2-[(E)-3-[4-(cetylamino)phenyl]acryloyl]oxyacetic acid
Formula: C27H43NO4
MolecularWeight: 445.63462
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-19-16-24(17-20-25)18-21-27(31)32-23-26(29)30/h16-21,28H,2-15,22-23H2,1H3,(H,29,30)/b21-18+


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