methyl 4-[(3-propoxy-1-propyl-pyrazol-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-propoxy-1-propyl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-propoxy-1-propyl-pyrazole-4-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(3-propoxy-1-propyl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-propoxy-1-propylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(3-propoxy-1-propyl-pyrazole-4-carbonyl)amino]benzoic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)OCCC)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCN1C=C(C(=N1)OCCC)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H23N3O4/c1-4-10-21-12-15(17(20-21)25-11-5-2)16(22)19-14-8-6-13(7-9-14)18(23)24-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)