(Z)-but-2-enedioic acid; N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxy-pyridin-2-amine

Systemtic Name: (Z)-but-2-enedioic acid; N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxy-pyridin-2-amine Openeye Name: N-[1-[(4-iodophenyl)methyl]-4-piperidyl]-3-isopropoxy-N-methyl-pyridin-2-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-[1-[(4-iodophenyl)methyl]-4-piperidinyl]-N-methyl-3-propan-2-yloxy-2-pyridinamine IUPAC Name: (Z)-but-2-enedioic acid; N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxypyridin-2-amine Traditional Name: [1-(4-iodobenzyl)-4-piperidyl]-(3-isopropoxy-2-pyridyl)-methyl-amine; maleic acid Formula: C25H32IN3O5 MolecularWeight: 581.44315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=C(C=C3)I.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=C(C=C3)I.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28IN3O.C4H4O4/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17;5-3(6)1-2-4(7)8/h4-9,12,16,19H,10-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-