[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]boronic acid

Systemtic Name: [4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]boronic acid Openeye Name: [4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]boronic acid CAS Name: [4-[[4-methoxy-3-(4-methyl-1-piperazinyl)anilino]-oxomethyl]-2-methylphenyl]boronic acid IUPAC Name: [4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]-2-methylphenyl]boronic acid Traditional Name: [4-[[4-methoxy-3-(4-methylpiperazino)phenyl]carbamoyl]-2-methyl-phenyl]boronic acid Formula: C20H26BN3O4 MolecularWeight: 383.24914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BN3O4/c1-14-12-15(4-6-17(14)21(26)27)20(25)22-16-5-7-19(28-3)18(13-16)24-10-8-23(2)9-11-24/h4-7,12-13,26-27H,8-11H2,1-3H3,(H,22,25)