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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-imidazol-1-ylpropyl)butyramide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-2-14(17(21)19-6-3-8-20-9-7-18-11-20)24-13-4-5-15-16(10-13)23-12-22-15/h4-5,7,9-11,14H,2-3,6,8,12H2,1H3,(H,19,21)/t14-/m0/s1