sodium 4-[3,5-dimethyl-4-[(6-methyl-7-oxidanyl-2,3-dihydro-1H-inden-4-yl)methyl]pyrazol-1-yl]butanoate

Systemtic Name: sodium 4-[3,5-dimethyl-4-[(6-methyl-7-oxidanyl-2,3-dihydro-1H-inden-4-yl)methyl]pyrazol-1-yl]butanoate Openeye Name: sodium 4-[4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]butanoate CAS Name: sodium 4-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethyl-1-pyrazolyl]butanoate IUPAC Name: sodium 4-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]butanoate Traditional Name: sodium 4-[4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]butyrate Formula: C20H25N2NaO3 MolecularWeight: 364.41387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCCC(=O)[O-])C)O.[Na+]

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCCC(=O)[O-])C)O.[Na+]

InChI

InChI=1S/C20H26N2O3.Na/c1-12-10-15(16-6-4-7-17(16)20(12)25)11-18-13(2)21-22(14(18)3)9-5-8-19(23)24;/h10,25H,4-9,11H2,1-3H3,(H,23,24);/q;+1/p-1