2-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonyloxyethanoic acid

Systemtic Name: 2-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxycarbonyloxyethanoic acid Openeye Name: 2-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonyloxyacetic acid CAS Name: 2-[[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-oxomethoxy]acetic acid IUPAC Name: 2-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxycarbonyloxyacetic acid Traditional Name: 2-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]carbonyloxyacetic acid Formula: C38H45NO7 MolecularWeight: 627.7664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)OCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC2CCCCC2)OC(=O)OCC(=O)O)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C38H45NO7/c1-38(2,3)31-20-18-26(17-19-27(21-25-11-5-4-6-12-25)45-37(43)44-24-36(41)42)22-32(31)39-35(40)23-30-28-13-7-9-15-33(28)46-34-16-10-8-14-29(30)34/h7-10,13-16,18,20,22,25,27,30H,4-6,11-12,17,19,21,23-24H2,1-3H3,(H,39,40)(H,41,42)