methyl 2-[2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethyl]-6-methoxy-benzoate hydrochloride

Systemtic Name: methyl 2-[2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethyl]-6-methoxy-benzoate hydrochloride Openeye Name: methyl 2-[2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)ethyl]-6-methoxy-benzoate hydrochloride CAS Name: 2-[2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethyl]-6-methoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethyl]-6-methoxybenzoate hydrochloride Traditional Name: 2-[2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)ethyl]-6-methoxy-benzoic acid methyl ester hydrochloride Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC2=C(C(=CC=C2)OC)C(=O)OC)Cl)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NN(C(=C1CCC2=C(C(=CC=C2)OC)C(=O)OC)Cl)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21ClN2O3.ClH/c1-14-17(20(22)24(23-14)16-9-5-4-6-10-16)13-12-15-8-7-11-18(26-2)19(15)21(25)27-3;/h4-11H,12-13H2,1-3H3;1H