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

Systemtic Name: 6-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-hydroxy-3-(4-o-phenetylpiperazino)propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

InChI

InChI=1S/C23H33N3O5/c1-2-31-21-10-6-5-9-20(21)26-13-11-25(12-14-26)16-17(27)15-24-22(28)18-7-3-4-8-19(18)23(29)30/h3-6,9-10,17-19,27H,2,7-8,11-16H2,1H3,(H,24,28)(H,29,30)