disodium 5-[(3-carboxylato-5-chloranyl-4-methoxy-phenyl)-(1-ethoxycarbonylpiperidin-4-ylidene)methyl]-3-chloranyl-2-methoxy-benzoate

Systemtic Name: disodium 5-[(3-carboxylato-5-chloranyl-4-methoxy-phenyl)-(1-ethoxycarbonylpiperidin-4-ylidene)methyl]-3-chloranyl-2-methoxy-benzoate Openeye Name: disodium 5-[(3-carboxylato-5-chloro-4-methoxy-phenyl)-(1-ethoxycarbonyl-4-piperidylidene)methyl]-3-chloro-2-methoxy-benzoate CAS Name: disodium 5-[(3-carboxylato-5-chloro-4-methoxyphenyl)-(1-ethoxycarbonyl-4-piperidinylidene)methyl]-3-chloro-2-methoxybenzoate IUPAC Name: disodium 5-[(3-carboxylato-5-chloro-4-methoxyphenyl)-(1-ethoxycarbonylpiperidin-4-ylidene)methyl]-3-chloro-2-methoxybenzoate Traditional Name: disodium 5-[(1-carbethoxy-4-piperidylidene)-(3-carboxylato-5-chloro-4-methoxy-phenyl)methyl]-3-chloro-2-methoxy-benzoate Formula: C25H23Cl2NNa2O8 MolecularWeight: 582.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C(C2=CC(=C(C(=C2)Cl)OC)C(=O)[O-])C3=CC(=C(C(=C3)Cl)OC)C(=O)[O-])CC1.[Na+].[Na+]

Isomeric SMILES

CCOC(=O)N1CCC(=C(C2=CC(=C(C(=C2)Cl)OC)C(=O)[O-])C3=CC(=C(C(=C3)Cl)OC)C(=O)[O-])CC1.[Na+].[Na+]

InChI

InChI=1S/C25H25Cl2NO8.2Na/c1-4-36-25(33)28-7-5-13(6-8-28)20(14-9-16(23(29)30)21(34-2)18(26)11-14)15-10-17(24(31)32)22(35-3)19(27)12-15;;/h9-12H,4-8H2,1-3H3,(H,29,30)(H,31,32);;/q;2*+1/p-2