(2S)-N-(1H-benzimidazol-2-yl)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]propanamide CAS Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-(1H-benzimidazol-2-yl)-3-hydroxy-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]propionamide Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CO)C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CO)C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H20N4O6/c1-31-13-6-7-14-12(9-20(29)32-18(14)10-13)8-19(28)23-17(11-27)21(30)26-22-24-15-4-2-3-5-16(15)25-22/h2-7,9-10,17,27H,8,11H2,1H3,(H,23,28)(H2,24,25,26,30)/t17-/m0/s1