(E)-but-2-enedioic acid; N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(o-tolyl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3,5-dimethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-(2-methylphenyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[3,5-dimethyl-4-(2-pyrrolidinoethoxy)phenyl]-2-(o-tolyl)acetamide; fumaric acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H30N2O2.C4H4O4/c1-17-8-4-5-9-20(17)16-22(26)24-21-14-18(2)23(19(3)15-21)27-13-12-25-10-6-7-11-25;5-3(6)1-2-4(7)8/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+