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

Systemtic Name: 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[4-(2-ethoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[3-(4-o-phenetylpiperazino)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4/c1-2-30-21-11-6-5-10-20(21)26-16-14-25(15-17-26)13-7-12-24-22(27)18-8-3-4-9-19(18)23(28)29/h3-6,10-11,18-19H,2,7-9,12-17H2,1H3,(H,24,27)(H,28,29)