methyl 3-(4-hydroxyphenyl)-2-(3-oxidanylidene-1-phenyl-1-propoxy-isoindol-2-yl)propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-(3-oxidanylidene-1-phenyl-1-propoxy-isoindol-2-yl)propanoate Openeye Name: methyl 3-(4-hydroxyphenyl)-2-(3-oxo-1-phenyl-1-propoxy-isoindolin-2-yl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-(3-oxo-1-phenyl-1-propoxy-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxyphenyl)-2-(3-oxo-1-phenyl-1-propoxyisoindol-2-yl)propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-(3-keto-1-phenyl-1-propoxy-isoindolin-2-yl)propionic acid methyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2=CC=CC=C2C(=O)N1C(CC3=CC=C(C=C3)O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCCOC1(C2=CC=CC=C2C(=O)N1C(CC3=CC=C(C=C3)O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO5/c1-3-17-33-27(20-9-5-4-6-10-20)23-12-8-7-11-22(23)25(30)28(27)24(26(31)32-2)18-19-13-15-21(29)16-14-19/h4-16,24,29H,3,17-18H2,1-2H3