2-methyl-2-[(8-methyl-2-oxidanylidene-5-phenyl-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-3-yl)amino]oxy-propanoic acid

Systemtic Name: 2-methyl-2-[(8-methyl-2-oxidanylidene-5-phenyl-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-3-yl)amino]oxy-propanoic acid Openeye Name: 2-methyl-2-[(8-methyl-2-oxo-5-phenyl-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-3-yl)amino]oxy-propanoic acid CAS Name: 2-methyl-2-[(8-methyl-2-oxo-5-phenyl-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-3-yl)amino]oxypropanoic acid IUPAC Name: 2-methyl-2-[(8-methyl-2-oxo-5-phenyl-7,9-dihydro-6H-pyrrolo[3,2-h]isoquinolin-3-yl)amino]oxypropanoic acid Traditional Name: 2-[(2-keto-8-methyl-5-phenyl-7,9-dihydro-6H-pyrrol[3,2-h]isoquinolin-3-yl)amino]oxy-2-methyl-propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ONC1=C2C=C(C3=C(C2=NC1=O)CN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)O)ONC1=C2C=C(C3=C(C2=NC1=O)CN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c1-22(2,21(27)28)29-24-19-16-11-15(13-7-5-4-6-8-13)14-9-10-25(3)12-17(14)18(16)23-20(19)26/h4-8,11H,9-10,12H2,1-3H3,(H,27,28)(H,23,24,26)