2-[2-(3-oxidanylpropoxy)ethyl]-1-[3-[2-[3-(phenylcarbonyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]guanidine

Systemtic Name: 2-[2-(3-oxidanylpropoxy)ethyl]-1-[3-[2-[3-(phenylcarbonyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]guanidine Openeye Name: 1-[3-[1-(3-benzoylphenyl)-1-methyl-ethyl]isoxazol-5-yl]-2-[2-(3-hydroxypropoxy)ethyl]guanidine CAS Name: 1-[3-[2-(3-benzoylphenyl)propan-2-yl]-5-isoxazolyl]-2-[2-(3-hydroxypropoxy)ethyl]guanidine IUPAC Name: 1-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-[2-(3-hydroxypropoxy)ethyl]guanidine Traditional Name: 1-[3-[1-(3-benzoylphenyl)-1-methyl-ethyl]isoxazol-5-yl]-2-[2-(3-hydroxypropoxy)ethyl]guanidine Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C3=NOC(=C3)NC(=NCCOCCCO)N

Isomeric SMILES

CC(C)(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C3=NOC(=C3)NC(=NCCOCCCO)N

InChI

InChI=1S/C25H30N4O4/c1-25(2,20-11-6-10-19(16-20)23(31)18-8-4-3-5-9-18)21-17-22(33-29-21)28-24(26)27-12-15-32-14-7-13-30/h3-6,8-11,16-17,30H,7,12-15H2,1-2H3,(H3,26,27,28)