(E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[6-(4-methoxyphenyl)hex-3-ynylamino]phenyl]acrylic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC#CCCNC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC#CCCNC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C22H23NO3/c1-26-21-14-9-18(10-15-21)6-4-2-3-5-17-23-20-12-7-19(8-13-20)11-16-22(24)25/h7-16,23H,4-6,17H2,1H3,(H,24,25)/b16-11+