(E)-but-2-enedioic acid; N-[3-[(phenylmethyl)amino]propyl]pyridine-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[3-[(phenylmethyl)amino]propyl]pyridine-2-carboxamide Openeye Name: N-[3-(benzylamino)propyl]pyridine-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3-[(phenylmethyl)amino]propyl]-2-pyridinecarboxamide IUPAC Name: N-[3-(benzylamino)propyl]pyridine-2-carboxamide; (E)-but-2-enedioic acid Traditional Name: N-[3-(benzylamino)propyl]picolinamide; fumaric acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCNC(=O)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCNC(=O)C2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O.C4H4O4/c20-16(15-9-4-5-11-18-15)19-12-6-10-17-13-14-7-2-1-3-8-14;5-3(6)1-2-4(7)8/h1-5,7-9,11,17H,6,10,12-13H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+