4-[2-methyl-3-oxidanylidene-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid

Systemtic Name: 4-[2-methyl-3-oxidanylidene-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid Openeye Name: 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)-1-piperidyl]propyl]benzoic acid CAS Name: 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)-1-piperidinyl]propyl]benzoic acid IUPAC Name: 4-[2-methyl-3-oxo-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzoic acid Traditional Name: 4-[3-keto-2-methyl-3-[2-(5-phenyl-1H-imidazol-2-yl)piperidino]propyl]benzoic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)C(=O)N2CCCCC2C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)C(=O)N2CCCCC2C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-17(15-18-10-12-20(13-11-18)25(30)31)24(29)28-14-6-5-9-22(28)23-26-16-21(27-23)19-7-3-2-4-8-19/h2-4,7-8,10-13,16-17,22H,5-6,9,14-15H2,1H3,(H,26,27)(H,30,31)