N-[1-(5-chloranyl-2-methoxycarbonyl-phenyl)-4-methyl-pent-1-yn-3-yl]-methyl-boronamidic acid

Systemtic Name: N-[1-(5-chloranyl-2-methoxycarbonyl-phenyl)-4-methyl-pent-1-yn-3-yl]-methyl-boronamidic acid Openeye Name: N-[3-(5-chloro-2-methoxycarbonyl-phenyl)-1-isopropyl-prop-2-ynyl]-methyl-boronamidic acid CAS Name: N-[1-(5-chloro-2-methoxycarbonylphenyl)-4-methylpent-1-yn-3-yl]-methylboronamidic acid IUPAC Name: N-[1-(5-chloro-2-methoxycarbonylphenyl)-4-methylpent-1-yn-3-yl]-methylboronamidic acid Traditional Name: N-[3-(2-carbomethoxy-5-chloro-phenyl)-1-isopropyl-prop-2-ynyl]-methyl-boronamidic acid Formula: C15H19BClNO3 MolecularWeight: 307.58026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC(C#CC1=C(C=CC(=C1)Cl)C(=O)OC)C(C)C)O

Isomeric SMILES

B(C)(NC(C#CC1=C(C=CC(=C1)Cl)C(=O)OC)C(C)C)O

InChI

InChI=1S/C15H19BClNO3/c1-10(2)14(18-16(3)20)8-5-11-9-12(17)6-7-13(11)15(19)21-4/h6-7,9-10,14,18,20H,1-4H3