sodium 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-2-cyclohexyl-ethoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-2-cyclohexyl-ethoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-2-cyclohexyl-ethoxy]-4-oxo-butanoate CAS Name: sodium 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-2-cyclohexylethoxy]-4-oxobutanoate IUPAC Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-2-cyclohexylethoxy]-4-oxobutanoate Traditional Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-2-cyclohexyl-ethoxy]-4-keto-butyrate Formula: C37H42NNaO6 MolecularWeight: 619.72225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(CC2CCCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(CC2CCCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

InChI

InChI=1S/C37H43NO6.Na/c1-37(2,3)29-18-17-25(33(21-24-11-5-4-6-12-24)44-36(42)20-19-35(40)41)22-30(29)38-34(39)23-28-26-13-7-9-15-31(26)43-32-16-10-8-14-27(28)32;/h7-10,13-18,22,24,28,33H,4-6,11-12,19-21,23H2,1-3H3,(H,38,39)(H,40,41);/q;+1/p-1