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

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-methoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-methoxy-4-[3-(4-methylpiperazino)propoxy]phenyl]ethanone; oxalic acid Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCN2CCN(CC2)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCN2CCN(CC2)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-14(20)15-5-6-16(17(13-15)21-3)22-12-4-7-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h5-6,13H,4,7-12H2,1-3H3;(H,3,4)(H,5,6)