tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(1-oxidanylpropyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[5-aminocarbonyl-2-butyl-4-(1-oxidanylpropyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxypropyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxypropyl)-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxypropyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-carbamoyl-4-(1-hydroxypropyl)imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(CC)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)N)C(CC)O

InChI

InChI=1S/C29H37N3O4/c1-6-8-13-24-31-25(23(33)7-2)26(27(30)34)32(24)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)28(35)36-29(3,4)5/h9-12,14-17,23,33H,6-8,13,18H2,1-5H3,(H2,30,34)