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

Systemtic Name: methyl (E)-3-[4-[[3-phenylpropyl(pyridin-2-ylmethyl)amino]methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[[3-phenylpropyl(2-pyridylmethyl)amino]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-phenylpropyl(2-pyridinylmethyl)amino]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[[3-phenylpropyl(pyridin-2-ylmethyl)amino]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[3-phenylpropyl(2-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=CC=CC=N3

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C26H28N2O2/c1-30-26(29)17-16-23-12-14-24(15-13-23)20-28(21-25-11-5-6-18-27-25)19-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-18H,7,10,19-21H2,1H3/b17-16+