6-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-hydroxy-3-[4-(2-methoxyphenyl)piperazino]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

InChI

InChI=1S/C22H31N3O5/c1-30-20-9-5-4-8-19(20)25-12-10-24(11-13-25)15-16(26)14-23-21(27)17-6-2-3-7-18(17)22(28)29/h2-5,8-9,16-18,26H,6-7,10-15H2,1H3,(H,23,27)(H,28,29)