dimethyl 3-[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-chlorobenzyl)oxycarbonylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)OCC2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)OCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H20ClN3O6/c1-26-16(23)7-14(8-17(24)27-2)22-10-13(9-20-22)21-18(25)28-11-12-5-3-4-6-15(12)19/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,21,25)