carbamimidoyl 2,3,5-trimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzoate

Systemtic Name: carbamimidoyl 2,3,5-trimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzoate Openeye Name: carbamimidoyl 2,3,5-trimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]benzoate CAS Name: 2,3,5-trimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]benzoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 2,3,5-trimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzoate Traditional Name: 2,3,5-trimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]benzoic acid amidino ester Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OC(=N)N)C)C)OCCCC2=CC(=NO2)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OC(=N)N)C)C)OCCCC2=CC(=NO2)C

InChI

InChI=1S/C18H23N3O4/c1-10-8-15(17(22)24-18(19)20)12(3)13(4)16(10)23-7-5-6-14-9-11(2)21-25-14/h8-9H,5-7H2,1-4H3,(H3,19,20)