[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-cyclohexylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-cyclohexylpropanoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C28H37N3O3 MolecularWeight: 463.61168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c32-27(22-34-28(33)16-11-23-7-3-1-4-8-23)29-25-12-14-26(15-13-25)31-19-17-30(18-20-31)21-24-9-5-2-6-10-24/h2,5-6,9-10,12-15,23H,1,3-4,7-8,11,16-22H2,(H,29,32)