2-[(3-butyl-4-methyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-butyl-4-methyl-2-oxidanylidene-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-4-methyl-2-oxo-5-propyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-4-methyl-2-oxo-5-propyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-4-methyl-2-oxo-5-propylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-2-keto-4-methyl-5-propyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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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)CCC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-4-6-16-26-18(3)22(11-5-2)27(25(26)30)17-20-14-10-15-21(23(20)24(28)29)19-12-8-7-9-13-19/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,28,29)