sodium 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoate

Systemtic Name: sodium 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoate Openeye Name: sodium 2-[3-(2-amino-2-oxo-ethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyacetate CAS Name: sodium 2-[[3-(2-amino-2-oxoethyl)-2-methyl-1-[(2-phenylphenyl)methyl]-4-indolyl]oxy]acetate IUPAC Name: sodium 2-[3-(2-amino-2-oxoethyl)-2-methyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyacetate Traditional Name: sodium 2-[3-(2-amino-2-keto-ethyl)-2-methyl-1-(2-phenylbenzyl)indol-4-yl]oxyacetate Formula: C26H23N2NaO4 MolecularWeight: 450.46159

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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)N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O4.Na/c1-17-21(14-24(27)29)26-22(12-7-13-23(26)32-16-25(30)31)28(17)15-19-10-5-6-11-20(19)18-8-3-2-4-9-18;/h2-13H,14-16H2,1H3,(H2,27,29)(H,30,31);/q;+1/p-1