methyl (E)-3-[4-[[3-phenylpropyl(pyridin-3-ylmethyl)amino]methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[[3-phenylpropyl(pyridin-3-ylmethyl)amino]methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[[3-phenylpropyl(3-pyridylmethyl)amino]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-phenylpropyl(3-pyridinylmethyl)amino]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[[3-phenylpropyl(pyridin-3-ylmethyl)amino]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[3-phenylpropyl(3-pyridylmethyl)amino]methyl]phenyl]acrylic acid methyl ester Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C26H28N2O2/c1-30-26(29)16-15-23-11-13-24(14-12-23)20-28(21-25-9-5-17-27-19-25)18-6-10-22-7-3-2-4-8-22/h2-5,7-9,11-17,19H,6,10,18,20-21H2,1H3/b16-15+