2-chloranyl-5-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 2-chloro-5-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 2-chloro-5-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]benzoic acid Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2=CC(=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2=CC(=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C15H18ClN3O2/c1-9(2)14-10(8-19(3)18-14)7-17-11-4-5-13(16)12(6-11)15(20)21/h4-6,8-9,17H,7H2,1-3H3,(H,20,21)