2,2-dimethyl-3-oxidanyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butanal

Systemtic Name: 2,2-dimethyl-3-oxidanyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butanal Openeye Name: 3-hydroxy-2,2-dimethyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butanal CAS Name: 3-hydroxy-2,2-dimethyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butanal IUPAC Name: 3-hydroxy-2,2-dimethyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butanal Traditional Name: 3-hydroxy-2,2-dimethyl-3-[(4-phenylphenoxy)methyl]-4-(1,2,4-triazol-1-yl)butyraldehyde Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(CN1C=NC=N1)(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C=O)C(CN1C=NC=N1)(COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H23N3O3/c1-20(2,13-25)21(26,12-24-16-22-15-23-24)14-27-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,13,15-16,26H,12,14H2,1-2H3