methyl 4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: methyl 4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: methyl 4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 4-[4-(1-piperazinyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 4-(4-piperazinophenyl)benzoic acid methyl ester Formula: C18H20N2O2 MolecularWeight: 296.3636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C18H20N2O2/c1-22-18(21)16-4-2-14(3-5-16)15-6-8-17(9-7-15)20-12-10-19-11-13-20/h2-9,19H,10-13H2,1H3