(1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-7a-methyl-3a-oxidanyl-5-oxidanylidene-1,2,3,4,6,7-hexahydroindene-1-carbonitrile

Systemtic Name: (1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-7a-methyl-3a-oxidanyl-5-oxidanylidene-1,2,3,4,6,7-hexahydroindene-1-carbonitrile Openeye Name: (1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-3a-hydroxy-7a-methyl-5-oxo-1,2,3,4,6,7-hexahydroindene-1-carbonitrile CAS Name: (1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-3a-hydroxy-7a-methyl-5-oxo-1,2,3,4,6,7-hexahydroindene-1-carbonitrile IUPAC Name: (1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-3a-hydroxy-7a-methyl-5-oxo-1,2,3,4,6,7-hexahydroindene-1-carbonitrile Traditional Name: (1S,3aS,7aR)-4-[2-[(8aR)-4,6,7,8-tetrahydro-1,3-benzodioxin-8a-yl]ethyl]-3a-hydroxy-5-keto-7a-methyl-1,2,3,4,6,7-hexahydroindene-1-carbonitrile Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1(CCC2C#N)O)CCC34CCCC=C3COCO4

Isomeric SMILES

C[C@]12CCC(=O)C([C@]1(CC[C@@H]2C#N)O)CC[C@]34CCCC=C3COCO4

InChI

InChI=1S/C21H29NO4/c1-19-9-7-18(23)17(21(19,24)11-5-15(19)12-22)6-10-20-8-3-2-4-16(20)13-25-14-26-20/h4,15,17,24H,2-3,5-11,13-14H2,1H3/t15-,17?,19-,20-,21+/m1/s1