ethanedioic acid; 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(4-ethoxybenzyl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2.C2H2O4/c1-4-22-17-7-5-16(6-8-17)14-19-9-11-20(12-10-19)18(21)13-15(2)3;3-1(4)2(5)6/h5-8,15H,4,9-14H2,1-3H3;(H,3,4)(H,5,6)