(E)-but-2-enedioic acid; N-methyl-2-[phenyl-(3-phenyl-1-propyl-piperidin-4-yl)amino]benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-[phenyl-(3-phenyl-1-propyl-piperidin-4-yl)amino]benzamide Openeye Name: fumaric acid; N-methyl-2-(N-(3-phenyl-1-propyl-4-piperidyl)anilino)benzamide CAS Name: (E)-2-butenedioic acid; N-methyl-2-(N-(3-phenyl-1-propyl-4-piperidinyl)anilino)benzamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-(N-(3-phenyl-1-propylpiperidin-4-yl)anilino)benzamide Traditional Name: fumaric acid; N-methyl-2-(N-(3-phenyl-1-propyl-4-piperidyl)anilino)benzamide Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C(C1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4C(=O)NC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1CCC(C(C1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4C(=O)NC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H33N3O.C4H4O4/c1-3-19-30-20-18-27(25(21-30)22-12-6-4-7-13-22)31(23-14-8-5-9-15-23)26-17-11-10-16-24(26)28(32)29-2;5-3(6)1-2-4(7)8/h4-17,25,27H,3,18-21H2,1-2H3,(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1+