methyl (3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-oxidanylidenephthalazin-2-yl)ethanoyl]pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-oxophthalazin-2-yl)acetyl]pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(4-methoxyphenyl)-1-[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-oxophthalazin-2-yl)acetyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-[2-(1-ketophthalazin-2-yl)acetyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)OC)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)OC)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H23N3O5/c1-30-17-9-7-15(8-10-17)19-12-25(13-20(19)23(29)31-2)21(27)14-26-22(28)18-6-4-3-5-16(18)11-24-26/h3-11,19-20H,12-14H2,1-2H3/t19-,20+/m0/s1