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

Systemtic Name: methyl 4-methyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=C(N(N=C3C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=C(N(N=C3C)C)C)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-13-16-8-6-7-9-18(16)23-19(21(13)22(27)28-5)12-29-20(26)11-10-17-14(2)24-25(4)15(17)3/h6-11H,12H2,1-5H3/b11-10+