3-(hydroxymethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one

Systemtic Name: 3-(hydroxymethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one Openeye Name: 3-(hydroxymethyl)-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one CAS Name: 3-(hydroxymethyl)-3-(3-hydroxyphenyl)-1-methyl-2-azepanone IUPAC Name: 3-(hydroxymethyl)-3-(3-hydroxyphenyl)-1-methylazepan-2-one Traditional Name: 3-(3-hydroxyphenyl)-1-methyl-3-methylol-azepan-2-one Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CO)C2=CC(=CC=C2)O

Isomeric SMILES

CN1CCCCC(C1=O)(CO)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H19NO3/c1-15-8-3-2-7-14(10-16,13(15)18)11-5-4-6-12(17)9-11/h4-6,9,16-17H,2-3,7-8,10H2,1H3