tert-butyl 4-[[(E)-(1,4-dimethyl-2-phenoxy-pyrrol-3-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[(E)-(1,4-dimethyl-2-phenoxy-pyrrol-3-yl)methylideneamino]oxymethyl]benzoate Openeye Name: tert-butyl 4-[[(E)-(1,4-dimethyl-2-phenoxy-pyrrol-3-yl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-(1,4-dimethyl-2-phenoxy-3-pyrrolyl)methylideneamino]oxymethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-(1,4-dimethyl-2-phenoxypyrrol-3-yl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-(1,4-dimethyl-2-phenoxy-pyrrol-3-yl)methyleneamino]oxymethyl]benzoic acid tert-butyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O4/c1-18-16-27(5)23(30-21-9-7-6-8-10-21)22(18)15-26-29-17-19-11-13-20(14-12-19)24(28)31-25(2,3)4/h6-16H,17H2,1-5H3/b26-15+