methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H19NO6 MolecularWeight: 405.40006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C23H19NO6/c1-14-16-5-3-4-6-17(16)24-18(22(14)23(26)27-2)12-28-21(25)10-8-15-7-9-19-20(11-15)30-13-29-19/h3-11H,12-13H2,1-2H3/b10-8+