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

Systemtic Name: 3-[4-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-1-cyclohexyl-butan-2-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]-3-oxo-propanoic acid CAS Name: 3-[4-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-3-oxopropanoic acid IUPAC Name: 3-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl]oxy-3-oxopropanoic acid Traditional Name: 3-[3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-(cyclohexylmethyl)propoxy]-3-keto-propionic acid Formula: C38H45NO6 MolecularWeight: 611.767

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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