4-(4-methylphenyl)-2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]phthalazin-1-one Openeye Name: 2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C27H26N2O4/c1-3-25(31)19-12-14-22(15-13-19)33-17-21(30)16-29-27(32)24-7-5-4-6-23(24)26(28-29)20-10-8-18(2)9-11-20/h4-15,21,30H,3,16-17H2,1-2H3/t21-/m1/s1