[(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-piperidin-1-ylcarbonyl-cyclohex-2-en-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-piperidin-1-ylcarbonyl-cyclohex-2-en-1-yl]-piperidin-1-yl-methanone Openeye Name: [(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-(1-piperidyl)methanone CAS Name: [(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-6-[oxo(1-piperidinyl)methyl]-4-pentyl-1-cyclohex-2-enyl]-(1-piperidinyl)methanone IUPAC Name: [(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone Traditional Name: [(1S,4R,5R,6S)-4-amyl-5-(1,3-benzodioxol-5-yl)-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidino-methanone Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4)C(=O)N5CCCCC5

Isomeric SMILES

CCCCC[C@@H]1C=C[C@@H]([C@H]([C@@H]1C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4)C(=O)N5CCCCC5

InChI

InChI=1S/C30H42N2O4/c1-2-3-6-11-22-12-14-24(29(33)31-16-7-4-8-17-31)28(30(34)32-18-9-5-10-19-32)27(22)23-13-15-25-26(20-23)36-21-35-25/h12-15,20,22,24,27-28H,2-11,16-19,21H2,1H3/t22-,24+,27+,28-/m1/s1