N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C23H23N3O4/c27-15-20(23(30)26-12-9-16-5-1-2-6-17(16)14-26)24-22(29)19-13-18(7-8-21(19)28)25-10-3-4-11-25/h1-8,10-11,13,20,27-28H,9,12,14-15H2,(H,24,29)/t20-/m0/s1