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

Systemtic Name: magnesium 3-[3,5-dimethyl-4-[(6-methyl-7-oxidanyl-2,3-dihydro-1H-inden-4-yl)methyl]pyrazol-1-yl]propanoate Openeye Name: magnesium 3-[4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]propanoate CAS Name: magnesium 3-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethyl-1-pyrazolyl]propanoate IUPAC Name: magnesium 3-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoate Traditional Name: magnesium 3-[4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]propionate Formula: C38H46MgN4O6 MolecularWeight: 679.10004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCC(=O)[O-])C)O.CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCC(=O)[O-])C)O.[Mg+2]

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCC(=O)[O-])C)O.CC1=C(C2=C(CCC2)C(=C1)CC3=C(N(N=C3C)CCC(=O)[O-])C)O.[Mg+2]

InChI

InChI=1S/2C19H24N2O3.Mg/c2*1-11-9-14(15-5-4-6-16(15)19(11)24)10-17-12(2)20-21(13(17)3)8-7-18(22)23;/h2*9,24H,4-8,10H2,1-3H3,(H,22,23);/q;;+2/p-2