3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoranyl-4-phenoxy-phenyl)hexanoate

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoranyl-4-phenoxy-phenyl)hexanoate Openeye Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-fluoro-4-phenoxy-phenyl)hexanoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoro-4-phenoxyphenyl)hexanoate Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-fluoro-4-phenoxy-phenyl)hexanoate Formula: C33H38FN2O5- MolecularWeight: 561.663623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CCCC2=CC(=C(C=C2)OC3=CC=CC=C3)F)CC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CCCC2=CC(=C(C=C2)OC3=CC=CC=C3)F)CC(=O)[O-]

InChI

InChI=1S/C33H39FN2O5/c1-22(24-13-7-5-8-14-24)35-32(40)30(33(2,3)4)36-31(39)25(21-29(37)38)15-11-12-23-18-19-28(27(34)20-23)41-26-16-9-6-10-17-26/h5-10,13-14,16-20,22,25,30H,11-12,15,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/p-1