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

Systemtic Name: ethanedioic acid; (4-propan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (4-isopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: oxalic acid; (4-propan-2-yl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: oxalic acid; (4-propan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-isopropylpiperazino)-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C19H28N2O8 MolecularWeight: 412.43422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4.C2H2O4/c1-12(2)18-6-8-19(9-7-18)17(20)13-10-14(21-3)16(23-5)15(11-13)22-4;3-1(4)2(5)6/h10-12H,6-9H2,1-5H3;(H,3,4)(H,5,6)