(E)-3-[4-[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[acetyl-(4-dec-1-ynylbenzyl)amino]phenyl]acrylic acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C=CC(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC=C(C=C2)/C=C/C(=O)O)C(=O)C

InChI

InChI=1S/C28H33NO3/c1-3-4-5-6-7-8-9-10-11-24-12-14-26(15-13-24)22-29(23(2)30)27-19-16-25(17-20-27)18-21-28(31)32/h12-21H,3-9,22H2,1-2H3,(H,31,32)/b21-18+