3-[3-cyano-5-[[(2,4-dichlorophenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-cyano-5-[[(2,4-dichlorophenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-cyano-5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-cyano-5-[[[(2,4-dichlorophenyl)-oxomethyl]amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-cyano-5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-cyano-5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxy-phenyl]-2-isopropoxy-propionic acid Formula: C22H22Cl2N2O5 MolecularWeight: 465.32648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC(=C(C(=C1)C#N)OC)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC(=C(C(=C1)C#N)OC)CNC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H22Cl2N2O5/c1-12(2)31-19(22(28)29)8-13-6-14(10-25)20(30-3)15(7-13)11-26-21(27)17-5-4-16(23)9-18(17)24/h4-7,9,12,19H,8,11H2,1-3H3,(H,26,27)(H,28,29)