2-oxidanyl-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-5-pyrrol-1-yl-benzamide

Systemtic Name: 2-oxidanyl-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-5-pyrrol-1-yl-benzamide Openeye Name: 2-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]-5-pyrrol-1-yl-benzamide CAS Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-5-(1-pyrrolyl)benzamide IUPAC Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]-5-pyrrol-1-yl-benzamide Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H20N4O4/c28-14-20(23(31)25-16-5-7-19-15(12-16)4-3-9-24-19)26-22(30)18-13-17(6-8-21(18)29)27-10-1-2-11-27/h1-13,20,28-29H,14H2,(H,25,31)(H,26,30)/t20-/m0/s1