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

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-2-[(4-phenyl-1-propyl-piperidin-4-yl)amino]benzamide Openeye Name: N,N-diethyl-2-[(4-phenyl-1-propyl-4-piperidyl)amino]benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-2-[(4-phenyl-1-propyl-4-piperidinyl)amino]benzamide IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-2-[(4-phenyl-1-propylpiperidin-4-yl)amino]benzamide Traditional Name: N,N-diethyl-2-[(4-phenyl-1-propyl-4-piperidyl)amino]benzamide; fumaric acid Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C2=CC=CC=C2)NC3=CC=CC=C3C(=O)N(CC)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1CCC(CC1)(C2=CC=CC=C2)NC3=CC=CC=C3C(=O)N(CC)CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H35N3O.C4H4O4/c1-4-18-27-19-16-25(17-20-27,21-12-8-7-9-13-21)26-23-15-11-10-14-22(23)24(29)28(5-2)6-3;5-3(6)1-2-4(7)8/h7-15,26H,4-6,16-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+