dimethyl 3-[4-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C20H22N4O7/c1-29-18(26)9-14(10-19(27)30-2)24-12-13(11-21-24)22-17(25)7-8-23-15-5-3-4-6-16(15)31-20(23)28/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,25)