ethyl (2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenoxy]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenoxy]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenoxy]-3-methyl-butanoate CAS Name: (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]-heptylamino]phenoxy]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]-heptylamino]phenoxy]-3-methylbutanoate Traditional Name: (2S)-2-[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenoxy]-3-methyl-butyric acid ethyl ester Formula: C34H45N3O5 MolecularWeight: 575.7382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)OC(C(C)C)C(=O)OCC)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)O[C@@H](C(C)C)C(=O)OCC)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

InChI

InChI=1S/C34H45N3O5/c1-6-9-10-11-15-22-36(27-18-20-28(21-19-27)42-33(25(4)5)34(40)41-8-3)32(39)24-37-30(7-2)35-29(23-31(37)38)26-16-13-12-14-17-26/h12-14,16-21,23,25,33H,6-11,15,22,24H2,1-5H3/t33-/m0/s1