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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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