(E)-but-2-enedioic acid; 2-[4-(4-dimethylaminophenyl)carbonylpiperidin-1-yl]-1-naphthalen-2-yl-ethanone

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(4-dimethylaminophenyl)carbonylpiperidin-1-yl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[4-[4-(dimethylamino)benzoyl]-1-piperidyl]-1-(2-naphthyl)ethanone; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-piperidinyl]-1-(2-naphthalenyl)ethanone IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[4-(dimethylamino)benzoyl]piperidin-1-yl]-1-naphthalen-2-ylethanone Traditional Name: 2-[4-[4-(dimethylamino)benzoyl]piperidino]-1-(2-naphthyl)ethanone; fumaric acid Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CC4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CC4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H28N2O2.C4H4O4/c1-27(2)24-11-9-20(10-12-24)26(30)21-13-15-28(16-14-21)18-25(29)23-8-7-19-5-3-4-6-22(19)17-23;5-3(6)1-2-4(7)8/h3-12,17,21H,13-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+