(Z)-but-2-enedioic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine

Systemtic Name: (Z)-but-2-enedioic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine Openeye Name: maleic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine CAS Name: (Z)-2-butenedioic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine IUPAC Name: (Z)-but-2-enedioic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine Traditional Name: maleic acid; 1-[1-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCCCC1)OC2=NNC(=C2C)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(N1CCCCC1)OC2=NNC(=C2C)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25N3O.C4H4O4/c1-3-16(21-12-8-5-9-13-21)22-18-14(2)17(19-20-18)15-10-6-4-7-11-15;5-3(6)1-2-4(7)8/h4,6-7,10-11,16H,3,5,8-9,12-13H2,1-2H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1-