methyl 2-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3/c1-14-9-10-16(11-15(14)2)20-18(21(26)22-12-19(25)27-3)13-24(23-20)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,22,26)