(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxidanylidene-pyridazin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxidanylidene-pyridazin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxo-pyridazin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxo-4-pyridazinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-3-keto-5-methoxy-pyridazin-4-yl]phenyl]propionic acid Formula: C23H21Cl2N3O6 MolecularWeight: 506.33534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H21Cl2N3O6/c1-34-18-12-26-28(9-10-29)22(31)19(18)14-7-5-13(6-8-14)11-17(23(32)33)27-21(30)20-15(24)3-2-4-16(20)25/h2-8,12,17,29H,9-11H2,1H3,(H,27,30)(H,32,33)/t17-/m0/s1