sodium 2-[2-methyl-3-(2-oxidanylidenepropyl)-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoate

Systemtic Name: sodium 2-[2-methyl-3-(2-oxidanylidenepropyl)-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoate Openeye Name: sodium 2-[3-acetonyl-2-methyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyacetate CAS Name: sodium 2-[[2-methyl-3-(2-oxopropyl)-1-[(2-phenylphenyl)methyl]-4-indolyl]oxy]acetate IUPAC Name: sodium 2-[2-methyl-3-(2-oxopropyl)-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyacetate Traditional Name: sodium 2-[3-acetonyl-2-methyl-1-(2-phenylbenzyl)indol-4-yl]oxyacetate Formula: C27H24NNaO4 MolecularWeight: 449.47353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3C4=CC=CC=C4)C=CC=C2OCC(=O)[O-])CC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3C4=CC=CC=C4)C=CC=C2OCC(=O)[O-])CC(=O)C.[Na+]

InChI

InChI=1S/C27H25NO4.Na/c1-18(29)15-23-19(2)28(24-13-8-14-25(27(23)24)32-17-26(30)31)16-21-11-6-7-12-22(21)20-9-4-3-5-10-20;/h3-14H,15-17H2,1-2H3,(H,30,31);/q;+1/p-1