(Z)-but-2-enedioic acid; [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: (Z)-but-2-enedioic acid; [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-yl-methanone; maleic acid CAS Name: (Z)-2-butenedioic acid; [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: (Z)-but-2-enedioic acid; [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidino-methanone; maleic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21N3O2.C4H4O4/c21-17(20-9-1-2-10-20)14-5-7-16(8-6-14)22-11-3-4-15-12-18-13-19-15;5-3(6)1-2-4(7)8/h5-8,12-13H,1-4,9-11H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-