methyl 3,5-bis(4-piperazin-1-ylbutoxy)benzoate

Systemtic Name: methyl 3,5-bis(4-piperazin-1-ylbutoxy)benzoate Openeye Name: methyl 3,5-bis(4-piperazin-1-ylbutoxy)benzoate CAS Name: 3,5-bis[4-(1-piperazinyl)butoxy]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(4-piperazin-1-ylbutoxy)benzoate Traditional Name: 3,5-bis(4-piperazinobutoxy)benzoic acid methyl ester Formula: C24H40N4O4 MolecularWeight: 448.5988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCCCCN2CCNCC2)OCCCCN3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCCCCN2CCNCC2)OCCCCN3CCNCC3

InChI

InChI=1S/C24H40N4O4/c1-30-24(29)21-18-22(31-16-4-2-10-27-12-6-25-7-13-27)20-23(19-21)32-17-5-3-11-28-14-8-26-9-15-28/h18-20,25-26H,2-17H2,1H3