2-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=C(C=C(C=C4)CC=C)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C[C@H](COC4=C(C=C(C=C4)CC=C)OC)O

InChI

InChI=1S/C28H28N2O4/c1-4-7-20-12-15-25(26(16-20)33-3)34-18-22(31)17-30-28(32)24-9-6-5-8-23(24)27(29-30)21-13-10-19(2)11-14-21/h4-6,8-16,22,31H,1,7,17-18H2,2-3H3/t22-/m1/s1