2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-(4-benzylpiperazino)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H31N3O3/c29-24(22-8-4-5-9-23(22)25(30)31)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,26,29)(H,30,31)