methyl 3-(4-hydroxyphenyl)-2-[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3-oxidanylidene-1-phenyl-isoindol-2-yl]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3-oxidanylidene-1-phenyl-isoindol-2-yl]propanoate Openeye Name: methyl 3-(4-hydroxyphenyl)-2-[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3-oxo-1-phenyl-isoindolin-2-yl]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[1-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-3-oxo-1-phenyl-2-isoindolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxyphenyl)-2-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-3-oxo-1-phenylisoindol-2-yl]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[3-keto-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-1-phenyl-isoindolin-2-yl]propionic acid methyl ester Formula: C30H28N4O7 MolecularWeight: 556.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2(C3=CC=CC=C3C(=O)N2C(CC4=CC=C(C=C4)O)C(=O)OC)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2(C3=CC=CC=C3C(=O)N2C(CC4=CC=C(C=C4)O)C(=O)OC)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H28N4O7/c1-20-31-19-27(34(38)39)32(20)16-17-41-30(22-8-4-3-5-9-22)25-11-7-6-10-24(25)28(36)33(30)26(29(37)40-2)18-21-12-14-23(35)15-13-21/h3-15,19,26,35H,16-18H2,1-2H3