3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-5-cyclohexyl-pentanoic acid

Systemtic Name: 3-[2-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]ethoxycarbonyl]-5-cyclohexyl-pentanoic acid Openeye Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-5-cyclohexyl-pentanoic acid CAS Name: 3-[2-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]ethoxy-oxomethyl]-5-cyclohexylpentanoic acid IUPAC Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-5-cyclohexylpentanoic acid Traditional Name: 3-[2-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]ethoxycarbonyl]-5-cyclohexyl-valeric acid Formula: C39H47NO6 MolecularWeight: 625.79358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCOC(=O)C(CCC2CCCCC2)CC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCOC(=O)C(CCC2CCCCC2)CC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C39H47NO6/c1-39(2,3)32-20-18-27(21-22-45-38(44)28(24-37(42)43)19-17-26-11-5-4-6-12-26)23-33(32)40-36(41)25-31-29-13-7-9-15-34(29)46-35-16-10-8-14-30(31)35/h7-10,13-16,18,20,23,26,28,31H,4-6,11-12,17,19,21-22,24-25H2,1-3H3,(H,40,41)(H,42,43)