phenyl 2-[4-[6-[(4-fluoranylphenoxy)methyl]oxan-2-yl]but-3-ynyl-phenoxycarbonyl-amino]ethanoate

Systemtic Name: phenyl 2-[4-[6-[(4-fluoranylphenoxy)methyl]oxan-2-yl]but-3-ynyl-phenoxycarbonyl-amino]ethanoate Openeye Name: phenyl 2-[4-[6-[(4-fluorophenoxy)methyl]tetrahydropyran-2-yl]but-3-ynyl-phenoxycarbonyl-amino]acetate CAS Name: 2-[4-[6-[(4-fluorophenoxy)methyl]-2-oxanyl]but-3-ynyl-[oxo(phenoxy)methyl]amino]acetic acid phenyl ester IUPAC Name: phenyl 2-[4-[6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-ynyl-phenoxycarbonylamino]acetate Traditional Name: 2-[carbophenoxy-[4-[6-[(4-fluorophenoxy)methyl]tetrahydropyran-2-yl]but-3-ynyl]amino]acetic acid phenyl ester Formula: C31H30FNO6 MolecularWeight: 531.571403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC(C1)C#CCCN(CC(=O)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3)COC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC(C1)C#CCCN(CC(=O)OC2=CC=CC=C2)C(=O)OC3=CC=CC=C3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C31H30FNO6/c32-24-17-19-25(20-18-24)36-23-29-16-9-15-26(37-29)14-7-8-21-33(31(35)39-28-12-5-2-6-13-28)22-30(34)38-27-10-3-1-4-11-27/h1-6,10-13,17-20,26,29H,8-9,15-16,21-23H2