(4-butan-2-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-(4-sec-butylpiperazin-1-yl)methanone; oxalic acid CAS Name: (4-butan-2-yl-1-piperazinyl)-(3,5-dimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-(4-sec-butylpiperazino)methanone; oxalic acid Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)C2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)C2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-5-13(2)18-6-8-19(9-7-18)17(20)14-10-15(21-3)12-16(11-14)22-4;3-1(4)2(5)6/h10-13H,5-9H2,1-4H3;(H,3,4)(H,5,6)