(E)-2-[3-[3-(4-methoxyphenyl)propanoyl-methyl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-[3-(4-methoxyphenyl)propanoyl-methyl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[3-(4-methoxyphenyl)propanoyl-methyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[3-(4-methoxyphenyl)-1-oxopropyl]-methylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[3-(4-methoxyphenyl)propanoyl-methylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[3-(4-methoxyphenyl)propanoyl-methyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C(CCC=CC2=CN=CC=C2)C(=O)O)C(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC(=C1)C(CC/C=C/C2=CN=CC=C2)C(=O)O)C(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H30N2O4/c1-30(27(31)17-14-21-12-15-25(34-2)16-13-21)24-10-5-9-23(19-24)26(28(32)33)11-4-3-7-22-8-6-18-29-20-22/h3,5-10,12-13,15-16,18-20,26H,4,11,14,17H2,1-2H3,(H,32,33)/b7-3+