methyl 2-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(p-tolyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-methylphenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(p-tolyl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C24H20N2O4/c1-15-8-10-17(11-9-15)12-18(13-25)23(27)30-14-21-22(24(28)29-3)16(2)19-6-4-5-7-20(19)26-21/h4-12H,14H2,1-3H3/b18-12+