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

Systemtic Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(2-furyl)prop-2-enoyl]-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]-(3-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=CN=CC=C2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-2-27-22(26)18-7-9-19(10-8-18)24(16-17-5-3-13-23-15-17)21(25)12-11-20-6-4-14-28-20/h3-15H,2,16H2,1H3/b12-11+