(E)-but-2-enedioic acid; 2-(butylamino)-N-(2-phenyl-1-pyridin-4-yl-ethyl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(butylamino)-N-(2-phenyl-1-pyridin-4-yl-ethyl)ethanamide Openeye Name: 2-(butylamino)-N-[2-phenyl-1-(4-pyridyl)ethyl]acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(butylamino)-N-(2-phenyl-1-pyridin-4-ylethyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; 2-(butylamino)-N-(2-phenyl-1-pyridin-4-ylethyl)acetamide Traditional Name: 2-(butylamino)-N-[2-phenyl-1-(4-pyridyl)ethyl]acetamide; fumaric acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)NC(CC1=CC=CC=C1)C2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNCC(=O)NC(CC1=CC=CC=C1)C2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H25N3O.C4H4O4/c1-2-3-11-21-15-19(23)22-18(17-9-12-20-13-10-17)14-16-7-5-4-6-8-16;5-3(6)1-2-4(7)8/h4-10,12-13,18,21H,2-3,11,14-15H2,1H3,(H,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+