4-[(1-tert-butylpyrazol-4-yl)methylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]-3-methyl-benzoic acid Openeye Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]-3-methyl-benzoic acid CAS Name: 4-[(1-tert-butyl-4-pyrazolyl)methylamino]-3-methylbenzoic acid IUPAC Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]-3-methylbenzoic acid Traditional Name: 4-[(1-tert-butylpyrazol-4-yl)methylamino]-3-methyl-benzoic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCC2=CN(N=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCC2=CN(N=C2)C(C)(C)C

InChI

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