2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-4-(1-cyclohexyloxybutan-2-yloxy)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-4-(1-cyclohexyloxybutan-2-yloxy)-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-[1-(cyclohexoxymethyl)propoxy]-4-oxo-butanoic acid CAS Name: 2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-4-(1-cyclohexyloxybutan-2-yloxy)-4-oxobutanoic acid IUPAC Name: 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-(1-cyclohexyloxybutan-2-yloxy)-4-oxobutanoic acid Traditional Name: 2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-4-[1-(cyclohexoxymethyl)propoxy]-4-keto-butyric acid Formula: C39H47NO7 MolecularWeight: 641.79298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1CCCCC1)OC(=O)CC(C2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)O

Isomeric SMILES

CCC(COC1CCCCC1)OC(=O)CC(C2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C39H47NO7/c1-5-26(24-45-27-13-7-6-8-14-27)46-37(42)23-30(38(43)44)25-19-20-32(39(2,3)4)33(21-25)40-36(41)22-31-28-15-9-11-17-34(28)47-35-18-12-10-16-29(31)35/h9-12,15-21,26-27,30-31H,5-8,13-14,22-24H2,1-4H3,(H,40,41)(H,43,44)