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

Systemtic Name: 2-[(3-butyl-5-but-2-ynyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-5-but-2-ynyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-5-but-2-ynyl-2-oxo-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-5-but-2-ynyl-2-oxoimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-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:

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC#CC

Isomeric SMILES

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC#CC

InChI

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