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

Systemtic Name: 6-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[4-(2-hydroxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[3-[4-(2-hydroxyphenyl)piperazino]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2CC=CCC2C(=O)O)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2CC=CCC2C(=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O4/c25-19-9-4-3-8-18(19)24-14-12-23(13-15-24)11-5-10-22-20(26)16-6-1-2-7-17(16)21(27)28/h1-4,8-9,16-17,25H,5-7,10-15H2,(H,22,26)(H,27,28)