N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(phenylcarbonyl)benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(phenylcarbonyl)benzamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-3-benzoyl-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3-benzoylbenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3-benzoylbenzamide Traditional Name: 3-benzoyl-N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]benzamide Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6/c28-14-20(25(31)26-13-16-9-10-21-22(11-16)33-15-32-21)27-24(30)19-8-4-7-18(12-19)23(29)17-5-2-1-3-6-17/h1-12,20,28H,13-15H2,(H,26,31)(H,27,30)/t20-/m0/s1