(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

InChI

InChI=1S/C23H28ClN3O3/c1-14(2)12-27-16(4)20(15(3)26-27)8-9-22(28)30-13-18-10-17-6-7-19(29-5)11-21(17)25-23(18)24/h6-7,10-11,14H,8-9,12-13H2,1-5H3