methyl 4-methyl-3-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-18-9-12-21(13-10-18)25-23(17-30(29-25)16-20-7-5-4-6-8-20)26(31)28-24-15-22(27(32)33-3)14-11-19(24)2/h4-15,17H,16H2,1-3H3,(H,28,31)