1-azanyl-3-[7-[4-(dihydroxyboranyl)phenyl]heptyl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-azanyl-3-[7-[4-(dihydroxyboranyl)phenyl]heptyl]cyclobutane-1-carboxylic acid Openeye Name: 1-amino-3-[7-(4-boronophenyl)heptyl]cyclobutanecarboxylic acid CAS Name: 1-amino-3-[7-(4-boronophenyl)heptyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-amino-3-[7-(4-boronophenyl)heptyl]cyclobutane-1-carboxylic acid Traditional Name: 1-amino-3-[7-(4-boronophenyl)heptyl]cyclobutanecarboxylic acid Formula: C18H28BNO4 MolecularWeight: 333.23022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CCCCCCCC2CC(C2)(C(=O)O)N)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CCCCCCCC2CC(C2)(C(=O)O)N)(O)O

InChI

InChI=1S/C18H28BNO4/c20-18(17(21)22)12-15(13-18)7-5-3-1-2-4-6-14-8-10-16(11-9-14)19(23)24/h8-11,15,23-24H,1-7,12-13,20H2,(H,21,22)