(Z)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenyl-methanamine

Systemtic Name: (Z)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenyl-methanamine Openeye Name: maleic acid; (1-methyl-3-piperidyl)-phenyl-methanamine CAS Name: (Z)-2-butenedioic acid; (1-methyl-3-piperidinyl)-phenylmethanamine IUPAC Name: (Z)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenylmethanamine Traditional Name: maleic acid; [(1-methyl-3-piperidyl)-phenyl-methyl]amine Formula: C21H28N2O8 MolecularWeight: 436.45562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(C2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(CCC1)C(N)C2=CC=CC=C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N2.2C4H4O4/c1-15-9-5-8-12(10-15)13(14)11-6-3-2-4-7-11;2*5-3(6)1-2-4(7)8/h2-4,6-7,12-13H,5,8-10,14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-