3-[3-[3-methyl-2-(pentylcarbamoylamino)phenoxy]propyl]-5-phenyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[3-[3-methyl-2-(pentylcarbamoylamino)phenoxy]propyl]-5-phenyl-imidazole-4-carboxylic acid Openeye Name: 3-[3-[3-methyl-2-(pentylcarbamoylamino)phenoxy]propyl]-5-phenyl-imidazole-4-carboxylic acid CAS Name: 3-[3-[3-methyl-2-[[oxo-(pentylamino)methyl]amino]phenoxy]propyl]-5-phenyl-4-imidazolecarboxylic acid IUPAC Name: 3-[3-[3-methyl-2-(pentylcarbamoylamino)phenoxy]propyl]-5-phenylimidazole-4-carboxylic acid Traditional Name: 3-[3-[2-(amylcarbamoylamino)-3-methyl-phenoxy]propyl]-5-phenyl-imidazole-4-carboxylic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H32N4O4/c1-3-4-8-15-27-26(33)29-22-19(2)11-9-14-21(22)34-17-10-16-30-18-28-23(24(30)25(31)32)20-12-6-5-7-13-20/h5-7,9,11-14,18H,3-4,8,10,15-17H2,1-2H3,(H,31,32)(H2,27,29,33)