[2-(carboxymethyloxy)-5-[(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)methylcarbamoyl]phenyl]boron

Systemtic Name: [2-(carboxymethyloxy)-5-[(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)methylcarbamoyl]phenyl]boron Openeye Name: [2-(carboxymethyloxy)-5-[[2-oxo-4-(4-pyridyl)piperazin-1-yl]methylcarbamoyl]phenyl]boron CAS Name: [2-(carboxymethyloxy)-5-[oxo-[(2-oxo-4-pyridin-4-yl-1-piperazinyl)methylamino]methyl]phenyl]boron IUPAC Name: [2-(carboxymethyloxy)-5-[(2-oxo-4-pyridin-4-ylpiperazin-1-yl)methylcarbamoyl]phenyl]boron Traditional Name: [2-(carboxymethyloxy)-5-[[2-keto-4-(4-pyridyl)piperazino]methylcarbamoyl]phenyl]boron Formula: C19H19BN4O5 MolecularWeight: 394.18896

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=C(C=CC(=C1)C(=O)NCN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

Isomeric SMILES

[B]C1=C(C=CC(=C1)C(=O)NCN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

InChI

InChI=1S/C19H19BN4O5/c20-15-9-13(1-2-16(15)29-11-18(26)27)19(28)22-12-24-8-7-23(10-17(24)25)14-3-5-21-6-4-14/h1-6,9H,7-8,10-12H2,(H,22,28)(H,26,27)