[4-[[3-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]carbamoyl]phenyl]boronic acid

Systemtic Name: [4-[[3-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]carbamoyl]phenyl]boronic acid Openeye Name: [4-[[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]boronic acid CAS Name: [4-[[4-hydroxy-3-(4-methyl-1-piperazinyl)anilino]-oxomethyl]phenyl]boronic acid IUPAC Name: [4-[[4-hydroxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]boronic acid Traditional Name: [4-[[4-hydroxy-3-(4-methylpiperazino)phenyl]carbamoyl]phenyl]boronic acid Formula: C18H22BN3O4 MolecularWeight: 355.19598

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)N3CCN(CC3)C)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)N3CCN(CC3)C)(O)O

InChI

InChI=1S/C18H22BN3O4/c1-21-8-10-22(11-9-21)16-12-15(6-7-17(16)23)20-18(24)13-2-4-14(5-3-13)19(25)26/h2-7,12,23,25-26H,8-11H2,1H3,(H,20,24)