3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2-propan-2-yloxy-butanoic acid

Systemtic Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2-propan-2-yloxy-butanoic acid Openeye Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-isopropoxy-2-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-4-oxo-2-propan-2-yloxybutanoic acid IUPAC Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-4-oxo-2-propan-2-yloxybutanoic acid Traditional Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-isopropoxy-4-keto-2-(4-methoxyphenyl)butyric acid Formula: C21H23Cl2NO5 MolecularWeight: 440.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=C(C=C1)OC)(C(CN)C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)OC(C1=CC=C(C=C1)OC)(C(CN)C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H23Cl2NO5/c1-12(2)29-21(20(26)27,13-4-7-15(28-3)8-5-13)17(11-24)19(25)16-9-6-14(22)10-18(16)23/h4-10,12,17H,11,24H2,1-3H3,(H,26,27)