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

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-4-[(3-oxidanyl-1-propyl-piperidin-4-yl)-phenyl-amino]benzamide Openeye Name: N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidyl)anilino)benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidinyl)anilino)benzamide IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-4-(N-(3-hydroxy-1-propylpiperidin-4-yl)anilino)benzamide Traditional Name: N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidyl)anilino)benzamide; fumaric acid Formula: C29H39N3O6 MolecularWeight: 525.63646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2.C4H4O4/c1-4-17-26-18-16-23(24(29)19-26)28(21-10-8-7-9-11-21)22-14-12-20(13-15-22)25(30)27(5-2)6-3;5-3(6)1-2-4(7)8/h7-15,23-24,29H,4-6,16-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+