4-[[[1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoate Formula: C21H19ClN3O4- MolecularWeight: 412.84626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H20ClN3O4/c1-13-9-17(10-14(2)19(13)22)29-12-25-8-7-18(24-25)20(26)23-11-15-3-5-16(6-4-15)21(27)28/h3-10H,11-12H2,1-2H3,(H,23,26)(H,27,28)/p-1