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

Systemtic Name: ethyl 4-methyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C=CC3=C(N(N=C3C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C3=C(N(N=C3C)C)C)C

InChI

InChI=1S/C23H25N3O4/c1-6-29-23(28)22-14(2)17-9-7-8-10-19(17)24-20(22)13-30-21(27)12-11-18-15(3)25-26(5)16(18)4/h7-12H,6,13H2,1-5H3/b12-11+