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

Systemtic Name: 2-[(2R)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(2R)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O

InChI

InChI=1S/C27H26N2O4/c1-3-9-19-14-15-24(25(16-19)32-2)33-18-21(30)17-29-27(31)23-13-8-7-12-22(23)26(28-29)20-10-5-4-6-11-20/h3-8,10-16,21,30H,1,9,17-18H2,2H3/t21-/m1/s1