(E)-but-2-enedioic acid; 3-(1-methylpyrrol-2-yl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrol-2-yl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine Openeye Name: N,N-diisopropyl-3-(1-methylpyrrol-2-yl)-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-2-pyrrolyl)-3-phenyl-N,N-di(propan-2-yl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrol-2-yl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine Traditional Name: diisopropyl-[3-(1-methylpyrrol-2-yl)-3-phenyl-propyl]amine; fumaric acid Formula: C24H34N2O4 MolecularWeight: 414.53776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CN2C)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CN2C)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H30N2.C4H4O4/c1-16(2)22(17(3)4)15-13-19(18-10-7-6-8-11-18)20-12-9-14-21(20)5;5-3(6)1-2-4(7)8/h6-12,14,16-17,19H,13,15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+