(3-chloranyl-4-methyl-quinolin-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2/c1-12-15-7-5-6-8-17(15)22-18(20(12)21)11-26-19(25)10-9-16-13(2)23-24(4)14(16)3/h5-10H,11H2,1-4H3/b10-9+