3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-ethoxy-4-hydroxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-ethoxy-4-hydroxy-benzyl)amino]azepan-2-one Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2CCCCNC2=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2CCCCNC2=O)O

InChI

InChI=1S/C15H22N2O3/c1-2-20-14-9-11(6-7-13(14)18)10-17-12-5-3-4-8-16-15(12)19/h6-7,9,12,17-18H,2-5,8,10H2,1H3,(H,16,19)