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

Systemtic Name: 6-[[2-oxidanyl-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-hydroxy-3-[4-(2-isopropoxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C24H35N3O5 MolecularWeight: 445.5518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3CC=CCC3C(=O)O)O

InChI

InChI=1S/C24H35N3O5/c1-17(2)32-22-10-6-5-9-21(22)27-13-11-26(12-14-27)16-18(28)15-25-23(29)19-7-3-4-8-20(19)24(30)31/h3-6,9-10,17-20,28H,7-8,11-16H2,1-2H3,(H,25,29)(H,30,31)