4-[4-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(N-cyclohexylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(N-cyclohexylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(N-cyclohexylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(N-cyclohexylanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H31N3O3/c29-24(28(22-7-3-1-4-8-22)23-9-5-2-6-10-23)19-26-15-17-27(18-16-26)21-13-11-20(12-14-21)25(30)31/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-19H2,(H,30,31)