(Z)-but-2-enedioic acid; ethyl 4-[(3-methylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 4-[(3-methylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(m-tolylmethyl)piperazine-1-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-[(3-methylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 4-[(3-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: maleic acid; 4-(3-methylbenzyl)piperazine-1-carboxylic acid ethyl ester Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC(=C2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC(=C2)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O2.C4H4O4/c1-3-19-15(18)17-9-7-16(8-10-17)12-14-6-4-5-13(2)11-14;5-3(6)1-2-4(7)8/h4-6,11H,3,7-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-