ethyl (2R)-2-[[2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]amino]ethyl-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: ethyl (2R)-2-[[2-[[(E)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-2-methyl-but-2-enyl]amino]ethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: ethyl (2R)-2-[[2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enyl]amino]ethyl-phenoxy-phosphoryl]amino]propanoate CAS Name: (2R)-2-[[2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbut-2-enyl]amino]ethyl-phenoxyphosphoryl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]ethyl-phenoxyphosphoryl]amino]propanoate Traditional Name: (2R)-2-[[2-[[(E)-4-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-but-2-enyl]amino]ethyl-phenoxy-phosphoryl]amino]propionic acid ethyl ester Formula: C29H39N2O7P MolecularWeight: 558.602921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)CNCCP(=O)(NC(C)C(=O)OCC)OC3=CC=CC=C3)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(\C)/CNCCP(=O)(N[C@H](C)C(=O)OCC)OC3=CC=CC=C3)O)C(=O)OC2)C

InChI

InChI=1S/C29H39N2O7P/c1-6-23-20(4)25-18-37-29(34)26(25)27(32)24(23)14-13-19(3)17-30-15-16-39(35,31-21(5)28(33)36-7-2)38-22-11-9-8-10-12-22/h8-13,21,30,32H,6-7,14-18H2,1-5H3,(H,31,35)/b19-13+/t21-,39?/m1/s1