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

Systemtic Name: ethanedioic acid; 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-5-24-18-13-16(6-7-17(18)23-4)14-20-8-10-21(11-9-20)19(22)12-15(2)3;3-1(4)2(5)6/h6-7,13,15H,5,8-12,14H2,1-4H3;(H,3,4)(H,5,6)