(3R)-3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-3-(3-phenoxyphenyl)propanoic acid

Systemtic Name: (3R)-3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-3-(3-phenoxyphenyl)propanoic acid Openeye Name: (3R)-3-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]-3-(3-phenoxyphenyl)propanoic acid CAS Name: (3R)-3-[[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid IUPAC Name: (3R)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-3-(3-phenoxyphenyl)propanoic acid Traditional Name: (3R)-3-[(6-keto-1-methyl-pyridazine-3-carbonyl)amino]-3-(3-phenoxyphenyl)propionic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N[C@H](CC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5/c1-24-19(25)11-10-17(23-24)21(28)22-18(13-20(26)27)14-6-5-9-16(12-14)29-15-7-3-2-4-8-15/h2-12,18H,13H2,1H3,(H,22,28)(H,26,27)/t18-/m1/s1