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

Systemtic Name: 4-methyl-3-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-methyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]-4-methyl-benzoic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=CN(N=C2C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=CN(N=C2C(C)C)C

InChI

InChI=1S/C16H21N3O2/c1-10(2)15-13(9-19(4)18-15)8-17-14-7-12(16(20)21)6-5-11(14)3/h5-7,9-10,17H,8H2,1-4H3,(H,20,21)