methyl 4-methyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[2-[[(E)-3-phenylacryloyl]amino]acetyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CNC(=O)C=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CNC(=O)/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H22N2O5/c1-16-18-10-6-7-11-19(18)26-20(23(16)24(29)30-2)15-31-22(28)14-25-21(27)13-12-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,25,27)/b13-12+