N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]-1-phenyl-cyclopropanecarboxamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)NC(CO)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c24-12-16(23-20(26)21(8-9-21)15-4-2-1-3-5-15)19(25)22-11-14-6-7-17-18(10-14)28-13-27-17/h1-7,10,16,24H,8-9,11-13H2,(H,22,25)(H,23,26)/t16-/m0/s1