(3S)-3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-oxidanylidene-1H-isoindol-2-yl]-3-phenyl-propanoic acid

Systemtic Name: (3S)-3-[6-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-3-oxidanylidene-1H-isoindol-2-yl]-3-phenyl-propanoic acid Openeye Name: (3S)-3-[5-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-oxo-isoindolin-2-yl]-3-phenyl-propanoic acid CAS Name: (3S)-3-[6-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid IUPAC Name: (3S)-3-[6-(2-amino-1-methylbenzimidazol-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid Traditional Name: (3S)-3-[5-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-keto-isoindolin-2-yl]-3-phenyl-propionic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(C4)C(CC(=O)O)C5=CC=CC=C5)N=C1N

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CC(=O)O)C5=CC=CC=C5)N=C1N

InChI

InChI=1S/C25H22N4O4/c1-28-19-8-5-9-21(23(19)27-25(28)26)33-17-10-11-18-16(12-17)14-29(24(18)32)20(13-22(30)31)15-6-3-2-4-7-15/h2-12,20H,13-14H2,1H3,(H2,26,27)(H,30,31)/t20-/m0/s1