tert-butyl (3S)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hexanoate

Systemtic Name: tert-butyl (3S)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hexanoate Openeye Name: tert-butyl (3S)-3-(3-ethyl-4-propanoyl-pyrrol-1-yl)-6,6-dimethoxy-hexanoate CAS Name: (3S)-3-[3-ethyl-4-(1-oxopropyl)-1-pyrrolyl]-6,6-dimethoxyhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3-ethyl-4-propanoylpyrrol-1-yl)-6,6-dimethoxyhexanoate Traditional Name: (3S)-3-(3-ethyl-4-propionyl-pyrrol-1-yl)-6,6-dimethoxy-hexanoic acid tert-butyl ester Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CN(C=C1C(=O)CC)[C@@H](CCC(OC)OC)CC(=O)OC(C)(C)C

InChI

InChI=1S/C21H35NO5/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/h13-14,16,20H,8-12H2,1-7H3/t16-/m0/s1