[4-(anthracen-9-ylmethylcarbamoyl)phenyl]boronic acid

Systemtic Name: [4-(anthracen-9-ylmethylcarbamoyl)phenyl]boronic acid Openeye Name: [4-(9-anthrylmethylcarbamoyl)phenyl]boronic acid CAS Name: [4-[(9-anthracenylmethylamino)-oxomethyl]phenyl]boronic acid IUPAC Name: [4-(anthracen-9-ylmethylcarbamoyl)phenyl]boronic acid Traditional Name: [4-(9-anthrylmethylcarbamoyl)phenyl]boronic acid Formula: C22H18BNO3 MolecularWeight: 355.19422

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)NCC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)NCC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

InChI

InChI=1S/C22H18BNO3/c25-22(15-9-11-18(12-10-15)23(26)27)24-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-13,26-27H,14H2,(H,24,25)