(E)-but-2-enedioate; N,N-diethyl-4-[phenyl-(1-propylpiperidin-4-yl)amino]benzamide

Systemtic Name: (E)-but-2-enedioate; N,N-diethyl-4-[phenyl-(1-propylpiperidin-4-yl)amino]benzamide Openeye Name: (E)-but-2-enedioate; N,N-diethyl-4-(N-(1-propyl-4-piperidyl)anilino)benzamide CAS Name: (E)-2-butenedioate; N,N-diethyl-4-(N-(1-propyl-4-piperidinyl)anilino)benzamide IUPAC Name: (E)-but-2-enedioate; N,N-diethyl-4-(N-(1-propylpiperidin-4-yl)anilino)benzamide Traditional Name: N,N-diethyl-4-(N-(1-propyl-4-piperidyl)anilino)benzamide fumarate Formula: C29H37N3O5-2 MolecularWeight: 507.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)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(CC1)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/C25H35N3O.C4H4O4/c1-4-18-26-19-16-24(17-20-26)28(22-10-8-7-9-11-22)23-14-12-21(13-15-23)25(29)27(5-2)6-3;5-3(6)1-2-4(7)8/h7-15,24H,4-6,16-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+