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

Systemtic Name: [3-aminocarbonyl-4-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-phenyl]boronic acid Openeye Name: [3-carbamoyl-4-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-phenyl]boronic acid CAS Name: [3-carbamoyl-4-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2-methylphenyl]boronic acid IUPAC Name: [3-carbamoyl-4-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methylphenyl]boronic acid Traditional Name: [3-carbamoyl-4-[4-methoxy-3-(4-methylpiperazino)phenyl]-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)C2=CC(=C(C=C2)OC)N3CCN(CC3)C)C(=O)N)C)(O)O

Isomeric SMILES

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

InChI

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