ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(2-furyl)prop-2-enoyl]-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C22H20N2O4/c1-2-27-22(26)18-5-7-19(8-6-18)24(16-17-11-13-23-14-12-17)21(25)10-9-20-4-3-15-28-20/h3-15H,2,16H2,1H3/b10-9+