1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[1-butyl-2-oxidanylidene-4-(4-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridin-3-yl]urea

Systemtic Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[1-butyl-2-oxidanylidene-4-(4-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridin-3-yl]urea Openeye Name: 1-[4-(4-benzyloxy-2-isopropoxy-phenyl)-1-butyl-2-oxo-3-pyridyl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea CAS Name: 1-[2-tert-butyl-5-(1-imidazolylmethyl)phenyl]-3-[1-butyl-2-oxo-4-(4-phenylmethoxy-2-propan-2-yloxyphenyl)-3-pyridinyl]urea IUPAC Name: 1-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]-3-[1-butyl-2-oxo-4-(4-phenylmethoxy-2-propan-2-yloxyphenyl)pyridin-3-yl]urea Traditional Name: 1-[4-(4-benzoxy-2-isopropoxy-phenyl)-1-butyl-2-keto-3-pyridyl]-3-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]urea Formula: C40H47N5O4 MolecularWeight: 661.83228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CN3C=CN=C3)C(C)(C)C)C4=C(C=C(C=C4)OCC5=CC=CC=C5)OC(C)C

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CN3C=CN=C3)C(C)(C)C)C4=C(C=C(C=C4)OCC5=CC=CC=C5)OC(C)C

InChI

InChI=1S/C40H47N5O4/c1-7-8-20-45-21-18-33(32-16-15-31(24-36(32)49-28(2)3)48-26-29-12-10-9-11-13-29)37(38(45)46)43-39(47)42-35-23-30(25-44-22-19-41-27-44)14-17-34(35)40(4,5)6/h9-19,21-24,27-28H,7-8,20,25-26H2,1-6H3,(H2,42,43,47)