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

Systemtic Name: (Z)-but-2-enedioic acid; ethyl 4-[(2-methylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(o-tolylmethyl)piperazine-1-carboxylate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-[(2-methylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; ethyl 4-[(2-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: maleic acid; 4-(2-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=C2C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2C.C(=C\C(=O)O)\C(=O)O

InChI

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