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

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-2-ethoxy-6-(3-fluoranyl-4-phenoxy-phenyl)hexanoate Openeye Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-2-ethoxy-6-(3-fluoro-4-phenoxy-phenyl)hexanoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-2-ethoxy-6-(3-fluoro-4-phenoxyphenyl)hexanoate IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-2-ethoxy-6-(3-fluoro-4-phenoxyphenyl)hexanoate Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-2-ethoxy-6-(3-fluoro-4-phenoxy-phenyl)hexanoate Formula: C35H42FN2O6- MolecularWeight: 605.716183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CCCC1=CC(=C(C=C1)OC2=CC=CC=C2)F)C(=O)NC(C(=O)NC(C)C3=CC=CC=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCOC(C(CCCC1=CC(=C(C=C1)OC2=CC=CC=C2)F)C(=O)NC(C(=O)NC(C)C3=CC=CC=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C35H43FN2O6/c1-6-43-30(34(41)42)27(19-13-14-24-20-21-29(28(36)22-24)44-26-17-11-8-12-18-26)32(39)38-31(35(3,4)5)33(40)37-23(2)25-15-9-7-10-16-25/h7-12,15-18,20-23,27,30-31H,6,13-14,19H2,1-5H3,(H,37,40)(H,38,39)(H,41,42)/p-1