1-(3-chloranyl-4-ethoxy-phenyl)-3-(6-iodanylnaphthalen-2-yl)oxy-N,N-dimethyl-propan-1-amine; propanedioic acid

Systemtic Name: 1-(3-chloranyl-4-ethoxy-phenyl)-3-(6-iodanylnaphthalen-2-yl)oxy-N,N-dimethyl-propan-1-amine; propanedioic acid Openeye Name: 1-(3-chloro-4-ethoxy-phenyl)-3-[(6-iodo-2-naphthyl)oxy]-N,N-dimethyl-propan-1-amine; malonic acid CAS Name: 1-(3-chloro-4-ethoxyphenyl)-3-[(6-iodo-2-naphthalenyl)oxy]-N,N-dimethyl-1-propanamine; propanedioic acid IUPAC Name: 1-(3-chloro-4-ethoxyphenyl)-3-(6-iodonaphthalen-2-yl)oxy-N,N-dimethylpropan-1-amine; propanedioic acid Traditional Name: [1-(3-chloro-4-ethoxy-phenyl)-3-(6-iodo-2-naphthoxy)propyl]-dimethyl-amine; malonic acid Formula: C26H29ClINO6 MolecularWeight: 613.86903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCOC2=CC3=C(C=C2)C=C(C=C3)I)N(C)C)Cl.C(C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCOC2=CC3=C(C=C2)C=C(C=C3)I)N(C)C)Cl.C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H25ClINO2.C3H4O4/c1-4-27-23-10-7-18(15-21(23)24)22(26(2)3)11-12-28-20-9-6-16-13-19(25)8-5-17(16)14-20;4-2(5)1-3(6)7/h5-10,13-15,22H,4,11-12H2,1-3H3;1H2,(H,4,5)(H,6,7)