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

Systemtic Name: 2-[4-[[4-(dimethoxymethyl)-2-oxidanylidene-3-phenethyl-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(dimethoxymethyl)-2-oxo-3-phenethyl-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(dimethoxymethyl)-2-oxo-3-phenethyl-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(dimethoxymethyl)-2-oxo-3-phenethyl-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(dimethoxymethyl)-2-keto-3-phenethyl-5-propyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4)C(OC)OC

Isomeric SMILES

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4)C(OC)OC

InChI

InChI=1S/C31H34N2O5/c1-4-10-27-28(30(37-2)38-3)32(20-19-22-11-6-5-7-12-22)31(36)33(27)21-23-15-17-24(18-16-23)25-13-8-9-14-26(25)29(34)35/h5-9,11-18,30H,4,10,19-21H2,1-3H3,(H,34,35)