N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide; methylboronic acid

Systemtic Name: N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide; methylboronic acid Openeye Name: N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butanamide; methylboronic acid CAS Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide; methylboronic acid IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide; methylboronic acid Traditional Name: N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butyramide; methylboronic acid Formula: C19H33BN2O6 MolecularWeight: 396.28612

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(O)O.CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

Isomeric SMILES

B(C)(O)O.CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

InChI

InChI=1S/C18H28N2O4.CH5BO2/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;1-2(3)4/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);3-4H,1H3