(E)-but-2-enedioic acid; 2-[phenyl-(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-[phenyl-(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine Openeye Name: fumaric acid; 2-[(1-isopropylpyrrolidin-3-yl)-phenyl-methyl]pyridine CAS Name: (E)-2-butenedioic acid; 2-[phenyl-(1-propan-2-yl-3-pyrrolidinyl)methyl]pyridine IUPAC Name: (E)-but-2-enedioic acid; 2-[phenyl-(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine Traditional Name: fumaric acid; 2-[(1-isopropylpyrrolidin-3-yl)-phenyl-methyl]pyridine Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2.C4H4O4/c1-15(2)21-13-11-17(14-21)19(16-8-4-3-5-9-16)18-10-6-7-12-20-18;5-3(6)1-2-4(7)8/h3-10,12,15,17,19H,11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+