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

Systemtic Name: (Z)-but-2-enedioic acid; 1-[(2-methylphenyl)methyl]piperazine Openeye Name: maleic acid; 1-(o-tolylmethyl)piperazine CAS Name: (Z)-2-butenedioic acid; 1-[(2-methylphenyl)methyl]piperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-[(2-methylphenyl)methyl]piperazine Traditional Name: maleic acid; 1-(2-methylbenzyl)piperazine Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCNCC2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2.C4H4O4/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14;5-3(6)1-2-4(7)8/h2-5,13H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-