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

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=NC4=CC=CC=C4O3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=NC4=CC=CC=C4O3)C(=O)OC

InChI

InChI=1S/C23H18N2O5/c1-14-15-7-3-4-8-16(15)24-18(22(14)23(27)28-2)13-29-21(26)12-11-20-25-17-9-5-6-10-19(17)30-20/h3-12H,13H2,1-2H3/b12-11+