sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate hydrate

Systemtic Name: sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate hydrate Openeye Name: sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate hydrate CAS Name: sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propanoate hydrate IUPAC Name: sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate hydrate Traditional Name: sodium 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propionate hydrate Formula: C19H18ClN2NaO4 MolecularWeight: 396.79999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)CCC(=O)[O-])C3=CC=C(C=C3)Cl.O.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)CCC(=O)[O-])C3=CC=C(C=C3)Cl.O.[Na+]

InChI

InChI=1S/C19H17ClN2O3.Na.H2O/c1-25-17-9-7-16(8-10-17)22-18(13-2-4-14(20)5-3-13)12-15(21-22)6-11-19(23)24;;/h2-5,7-10,12H,6,11H2,1H3,(H,23,24);;1H2/q;+1;/p-1