[7-oxidanylidene-7-[(3-phenylphenyl)amino]-6-(quinolin-2-ylcarbonylamino)heptyl]boronic acid

Systemtic Name: [7-oxidanylidene-7-[(3-phenylphenyl)amino]-6-(quinolin-2-ylcarbonylamino)heptyl]boronic acid Openeye Name: [7-oxo-7-(3-phenylanilino)-6-(quinoline-2-carbonylamino)heptyl]boronic acid CAS Name: [7-oxo-6-[[oxo(2-quinolinyl)methyl]amino]-7-(3-phenylanilino)heptyl]boronic acid IUPAC Name: [7-oxo-7-(3-phenylanilino)-6-(quinoline-2-carbonylamino)heptyl]boronic acid Traditional Name: [7-keto-7-(3-phenylanilino)-6-(quinaldoylamino)heptyl]boronic acid Formula: C29H30BN3O4 MolecularWeight: 495.3772

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)(O)O

Isomeric SMILES

B(CCCCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)(O)O

InChI

InChI=1S/C29H30BN3O4/c34-28(31-24-14-9-13-23(20-24)21-10-3-1-4-11-21)26(16-5-2-8-19-30(36)37)33-29(35)27-18-17-22-12-6-7-15-25(22)32-27/h1,3-4,6-7,9-15,17-18,20,26,36-37H,2,5,8,16,19H2,(H,31,34)(H,33,35)