methyl 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H21NO6 MolecularWeight: 419.42664

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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)OCCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CC4=C(C=C3)OCCO4)C(=O)OC

InChI

InChI=1S/C24H21NO6/c1-15-17-5-3-4-6-18(17)25-19(23(15)24(27)28-2)14-31-22(26)10-8-16-7-9-20-21(13-16)30-12-11-29-20/h3-10,13H,11-12,14H2,1-2H3/b10-8+