methyl 4-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-(8-quinolyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(8-quinolyl)acryloyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)C(=O)OC

InChI

InChI=1S/C25H20N2O4/c1-16-19-10-3-4-11-20(19)27-21(23(16)25(29)30-2)15-31-22(28)13-12-18-8-5-7-17-9-6-14-26-24(17)18/h3-14H,15H2,1-2H3/b13-12+