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

Systemtic Name: 6-[[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[2-hydroxy-3-[4-(2-hydroxyphenyl)-1-piperazinyl]propyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazino]propyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CNC(=O)C2CC=CCC2C(=O)O)O)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1CC(CNC(=O)C2CC=CCC2C(=O)O)O)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O5/c25-15(13-22-20(27)16-5-1-2-6-17(16)21(28)29)14-23-9-11-24(12-10-23)18-7-3-4-8-19(18)26/h1-4,7-8,15-17,25-26H,5-6,9-14H2,(H,22,27)(H,28,29)