2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid Formula: C12H18ClN3O2 MolecularWeight: 271.74322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN(CC2CC2)CC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN(CC2CC2)CC(=O)O)Cl)C

InChI

InChI=1S/C12H18ClN3O2/c1-8-10(12(13)15(2)14-8)6-16(7-11(17)18)5-9-3-4-9/h9H,3-7H2,1-2H3,(H,17,18)