ethanedioic acid; 1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-methoxy-4-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-methoxy-4-[4-(4-methylpiperazino)butoxy]phenyl]ethanone; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-15(21)16-6-7-17(18(14-16)22-3)23-13-5-4-8-20-11-9-19(2)10-12-20;3-1(4)2(5)6/h6-7,14H,4-5,8-13H2,1-3H3;(H,3,4)(H,5,6)