tert-butyl (Z)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hex-2-enoate

Systemtic Name: tert-butyl (Z)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hex-2-enoate Openeye Name: tert-butyl (Z)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hex-2-enoate CAS Name: (Z)-3-[3-ethyl-4-(1-oxopropyl)-1-pyrrolyl]-6,6-dimethoxy-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-3-(3-ethyl-4-propanoylpyrrol-1-yl)-6,6-dimethoxyhex-2-enoate Traditional Name: (Z)-3-(3-ethyl-4-propionyl-pyrrol-1-yl)-6,6-dimethoxy-hex-2-enoic acid tert-butyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C=C1C(=O)CC)C(=CC(=O)OC(C)(C)C)CCC(OC)OC

Isomeric SMILES

CCC1=CN(C=C1C(=O)CC)/C(=C\C(=O)OC(C)(C)C)/CCC(OC)OC

InChI

InChI=1S/C21H33NO5/c1-8-15-13-22(14-17(15)18(23)9-2)16(10-11-20(25-6)26-7)12-19(24)27-21(3,4)5/h12-14,20H,8-11H2,1-7H3/b16-12-