6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[4-(2-hydroxyethyl)piperazino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1CCO)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C20H27N3O4/c24-14-13-22-9-11-23(12-10-22)16-7-5-15(6-8-16)21-19(25)17-3-1-2-4-18(17)20(26)27/h1-2,5-8,17-18,24H,3-4,9-14H2,(H,21,25)(H,26,27)