(E)-but-2-enedioic acid; 3-(6-iodanylnaphthalen-1-yl)oxy-N-methyl-3-pyridin-4-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(6-iodanylnaphthalen-1-yl)oxy-N-methyl-3-pyridin-4-yl-propan-1-amine Openeye Name: fumaric acid; 3-[(6-iodo-1-naphthyl)oxy]-N-methyl-3-(4-pyridyl)propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-[(6-iodo-1-naphthalenyl)oxy]-N-methyl-3-pyridin-4-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(6-iodonaphthalen-1-yl)oxy-N-methyl-3-pyridin-4-ylpropan-1-amine Traditional Name: fumaric acid; [3-(6-iodo-1-naphthoxy)-3-(4-pyridyl)propyl]-methyl-amine Formula: C23H23IN2O5 MolecularWeight: 534.34359

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=NC=C1)OC2=CC=CC3=C2C=CC(=C3)I.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(C1=CC=NC=C1)OC2=CC=CC3=C2C=CC(=C3)I.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H19IN2O.C4H4O4/c1-21-10-9-18(14-7-11-22-12-8-14)23-19-4-2-3-15-13-16(20)5-6-17(15)19;5-3(6)1-2-4(7)8/h2-8,11-13,18,21H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+