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

Systemtic Name: 6-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-hydroxy-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-hydroxyanilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-hydroxyphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-hydroxy-4-(4-o-phenetylpiperazino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4CC=CCC4C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4CC=CCC4C(=O)O)O

InChI

InChI=1S/C26H31N3O5/c1-2-34-24-10-6-5-9-22(24)29-15-13-28(14-16-29)21-12-11-18(17-23(21)30)27-25(31)19-7-3-4-8-20(19)26(32)33/h3-6,9-12,17,19-20,30H,2,7-8,13-16H2,1H3,(H,27,31)(H,32,33)