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

Systemtic Name: (E)-but-2-enedioic acid; N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(o-tolyl)propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3,5-dimethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-(2-methylphenyl)propanamide IUPAC Name: (E)-but-2-enedioic acid; N-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[3,5-dimethyl-4-(2-pyrrolidinoethoxy)phenyl]-3-(o-tolyl)propionamide; fumaric acid Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H32N2O2.C4H4O4/c1-18-8-4-5-9-21(18)10-11-23(27)25-22-16-19(2)24(20(3)17-22)28-15-14-26-12-6-7-13-26;5-3(6)1-2-4(7)8/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+