(1S,6R)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(4-piperonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@@H]4CC=CC[C@@H]4C(=O)O

InChI

InChI=1S/C20H24N2O5/c23-19(15-3-1-2-4-16(15)20(24)25)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)27-13-26-17/h1-2,5-6,11,15-16H,3-4,7-10,12-13H2,(H,24,25)/t15-,16+/m1/s1