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

Systemtic Name: methyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(4-cyanophenyl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4/c1-15-18-5-3-4-6-19(18)25-20(22(15)23(27)28-2)14-29-21(26)12-11-16-7-9-17(13-24)10-8-16/h3-12H,14H2,1-2H3/b12-11+