methyl 3-(4-methoxyphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-methoxyphenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl 3-(4-methoxyphenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-(4-methoxyphenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methoxyphenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate Traditional Name: 3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-24-21(27)16-7-5-4-6-15(16)19(23-24)20(26)22-17(12-18(25)29-3)13-8-10-14(28-2)11-9-13/h4-11,17H,12H2,1-3H3,(H,22,26)