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

Systemtic Name: sodium 4-[1-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-3-cyclohexyl-propoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexyl-propoxy]-4-oxo-butanoate CAS Name: sodium 4-[1-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-3-cyclohexylpropoxy]-4-oxobutanoate IUPAC Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexylpropoxy]-4-oxobutanoate Traditional Name: sodium 4-[1-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-cyclohexyl-propoxy]-4-keto-butyrate Formula: C38H44NNaO6 MolecularWeight: 633.74883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(CCC2CCCCC2)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(CCC2CCCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

InChI

InChI=1S/C38H45NO6.Na/c1-38(2,3)30-19-18-26(32(45-37(43)22-21-36(41)42)20-17-25-11-5-4-6-12-25)23-31(30)39-35(40)24-29-27-13-7-9-15-33(27)44-34-16-10-8-14-28(29)34;/h7-10,13-16,18-19,23,25,29,32H,4-6,11-12,17,20-22,24H2,1-3H3,(H,39,40)(H,41,42);/q;+1/p-1