tert-butyl 4-[[(E)-(1,3-dimethyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-[1,3-dimethyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]oxymethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-(1,3-dimethyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]oxymethyl]benzoic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)N3CCCC3)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)N3CCCC3)C

InChI

InChI=1S/C22H30N4O3/c1-16-19(20(25(5)24-16)26-12-6-7-13-26)14-23-28-15-17-8-10-18(11-9-17)21(27)29-22(2,3)4/h8-11,14H,6-7,12-13,15H2,1-5H3/b23-14+