ethyl (E)-3-[3-aminocarbonyl-5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-aminocarbonyl-5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-carbamoyl-5-[[ethyl(4-pyridylmethyl)amino]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-carbamoyl-5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-carbamoyl-5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-carbamoyl-5-[[ethyl(4-pyridylmethyl)amino]methyl]phenyl]acrylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)CC2=CC(=CC(=C2)C(=O)N)C=CC(=O)OCC

Isomeric SMILES

CCN(CC1=CC=NC=C1)CC2=CC(=CC(=C2)C(=O)N)/C=C/C(=O)OCC

InChI

InChI=1S/C21H25N3O3/c1-3-24(14-16-7-9-23-10-8-16)15-18-11-17(5-6-20(25)27-4-2)12-19(13-18)21(22)26/h5-13H,3-4,14-15H2,1-2H3,(H2,22,26)/b6-5+