2-[(3-tert-butyl-5-but-2-ynyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-tert-butyl-5-but-2-ynyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-tert-butyl-5-but-2-ynyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-tert-butyl-5-but-2-ynyl-2-oxo-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-tert-butyl-5-but-2-ynyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-tert-butyl-5-but-2-ynyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC#CCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H26N2O3/c1-5-6-14-20-17-27(25(2,3)4)24(30)26(20)16-19-13-10-15-21(22(19)23(28)29)18-11-8-7-9-12-18/h7-13,15,17H,14,16H2,1-4H3,(H,28,29)