1-[(1S,2S,6R)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-6-methyl-6-oxidanyl-4-phenylazanyl-cyclohex-3-en-1-yl]ethanone

Systemtic Name: 1-[(1S,2S,6R)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-6-methyl-6-oxidanyl-4-phenylazanyl-cyclohex-3-en-1-yl]ethanone Openeye Name: 1-[(1S,2S,6R)-3-acetyl-4-anilino-2-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-cyclohex-3-en-1-yl]ethanone CAS Name: 1-[(1S,2S,6R)-3-acetyl-4-anilino-2-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-1-cyclohex-3-enyl]ethanone IUPAC Name: 1-[(1S,2S,6R)-3-acetyl-4-anilino-2-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methylcyclohex-3-en-1-yl]ethanone Traditional Name: 1-[(1S,2S,6R)-3-acetyl-4-anilino-2-(1,3-benzodioxol-5-yl)-6-hydroxy-6-methyl-cyclohex-3-en-1-yl]ethanone Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=CC=C2)C(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25NO5/c1-14(26)21-18(25-17-7-5-4-6-8-17)12-24(3,28)23(15(2)27)22(21)16-9-10-19-20(11-16)30-13-29-19/h4-11,22-23,25,28H,12-13H2,1-3H3/t22-,23-,24+/m0/s1