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

Systemtic Name: ethanedioic acid; (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(1-ethylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: oxalic acid; (4-pentan-3-yl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: oxalic acid; (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(1-ethylpropyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C21H32N2O8 MolecularWeight: 440.48738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4.C2H2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4;3-1(4)2(5)6/h12-13,15H,6-11H2,1-5H3;(H,3,4)(H,5,6)