methyl (2R)-3-(4-hydroxyphenyl)-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoate Traditional Name: (2R)-2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C24H27N3O5/c1-3-4-7-14-27-23(30)19-9-6-5-8-18(19)21(26-27)22(29)25-20(24(31)32-2)15-16-10-12-17(28)13-11-16/h5-6,8-13,20,28H,3-4,7,14-15H2,1-2H3,(H,25,29)/t20-/m1/s1