(6S)-6-(1-butanoylindol-3-yl)-3,3,5,5-tetramethyl-oxane-2,4-dione

Systemtic Name: (6S)-6-(1-butanoylindol-3-yl)-3,3,5,5-tetramethyl-oxane-2,4-dione Openeye Name: (6S)-6-(1-butanoylindol-3-yl)-3,3,5,5-tetramethyl-tetrahydropyran-2,4-dione CAS Name: (6S)-3,3,5,5-tetramethyl-6-[1-(1-oxobutyl)-3-indolyl]oxane-2,4-dione IUPAC Name: (6S)-6-(1-butanoylindol-3-yl)-3,3,5,5-tetramethyloxane-2,4-dione Traditional Name: (6S)-6-(1-butyrylindol-3-yl)-3,3,5,5-tetramethyl-tetrahydropyran-2,4-quinone Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=C(C2=CC=CC=C21)C3C(C(=O)C(C(=O)O3)(C)C)(C)C

Isomeric SMILES

CCCC(=O)N1C=C(C2=CC=CC=C21)[C@H]3C(C(=O)C(C(=O)O3)(C)C)(C)C

InChI

InChI=1S/C21H25NO4/c1-6-9-16(23)22-12-14(13-10-7-8-11-15(13)22)17-20(2,3)18(24)21(4,5)19(25)26-17/h7-8,10-12,17H,6,9H2,1-5H3/t17-/m0/s1