(2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)propionamide Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1C=CN=C1)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)NCCCN1C=CN=C1)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O4/c1-12(16(20)18-5-2-7-19-8-6-17-10-19)23-13-3-4-14-15(9-13)22-11-21-14/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,18,20)/t12-/m0/s1