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

Systemtic Name: sodium 4-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclopentyl-butan-2-yl]oxy-4-oxidanylidene-butanoate Openeye Name: sodium 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclopentylmethyl)propoxy]-4-oxo-butanoate CAS Name: sodium 4-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclopentylbutan-2-yl]oxy-4-oxobutanoate IUPAC Name: sodium 4-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclopentylbutan-2-yl]oxy-4-oxobutanoate Traditional Name: sodium 4-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclopentylmethyl)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)CCC(CC2CCCC2)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)CCC(CC2CCCC2)OC(=O)CCC(=O)[O-])NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

InChI

InChI=1S/C38H45NO6.Na/c1-38(2,3)31-19-17-26(16-18-27(22-25-10-4-5-11-25)44-37(43)21-20-36(41)42)23-32(31)39-35(40)24-30-28-12-6-8-14-33(28)45-34-15-9-7-13-29(30)34;/h6-9,12-15,17,19,23,25,27,30H,4-5,10-11,16,18,20-22,24H2,1-3H3,(H,39,40)(H,41,42);/q;+1/p-1