[5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenyl-pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-methyl-2-[2-(3-methylphenoxy)ethyl]-4-phenyl-pyrazol-3-yl] ester Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C(=C(C(=N2)C)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C(=C(C(=N2)C)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN2O3/c1-18-7-6-10-23(17-18)31-16-15-29-25(32-26(30)21-11-13-22(27)14-12-21)24(19(2)28-29)20-8-4-3-5-9-20/h3-14,17H,15-16H2,1-2H3