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

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-4-[(3-methoxy-1-propyl-piperidin-4-yl)-phenyl-amino]benzamide Openeye Name: N,N-diethyl-4-(N-(3-methoxy-1-propyl-4-piperidyl)anilino)benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-4-(N-(3-methoxy-1-propyl-4-piperidinyl)anilino)benzamide IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-4-(N-(3-methoxy-1-propylpiperidin-4-yl)anilino)benzamide Traditional Name: N,N-diethyl-4-(N-(3-methoxy-1-propyl-4-piperidyl)anilino)benzamide; fumaric acid Formula: C30H41N3O6 MolecularWeight: 539.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C(C1)OC)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)OC)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/C26H37N3O2.C4H4O4/c1-5-18-27-19-17-24(25(20-27)31-4)29(22-11-9-8-10-12-22)23-15-13-21(14-16-23)26(30)28(6-2)7-3;5-3(6)1-2-4(7)8/h8-16,24-25H,5-7,17-20H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+