methylboronic acid; 2-oxidanyl-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

Systemtic Name: methylboronic acid; 2-oxidanyl-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]benzamide Openeye Name: 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzamide; methylboronic acid CAS Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide; methylboronic acid IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide; methylboronic acid Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzamide; methylboronic acid Formula: C20H29BN2O5 MolecularWeight: 388.26566

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(O)O.CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

B(C)(O)O.CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C19H24N2O3.CH5BO2/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;1-2(3)4/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);3-4H,1H3