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

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid Openeye Name: oxalic acid; (4-sec-butylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: (4-butan-2-yl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: oxalic acid; (4-sec-butylpiperazino)-(3,4,5-trimethoxyphenyl)methanone Formula: C20H30N2O8 MolecularWeight: 426.4608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.C2H2O4/c1-6-13(2)19-7-9-20(10-8-19)18(21)14-11-15(22-3)17(24-5)16(12-14)23-4;3-1(4)2(5)6/h11-13H,6-10H2,1-5H3;(H,3,4)(H,5,6)