(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-oxidanylpyridin-2-yl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-oxidanylpyridin-2-yl)propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxy-2-pyridyl)propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxy-2-pyridinyl)propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxypyridin-2-yl)propanamide Traditional Name: (2S)-2-acetamido-3-(5-hydroxy-2-pyridyl)-N-piperonyl-propionamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)N[C@@H](CC1=NC=C(C=C1)O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O5/c1-11(22)21-15(7-13-3-4-14(23)9-19-13)18(24)20-8-12-2-5-16-17(6-12)26-10-25-16/h2-6,9,15,23H,7-8,10H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1