3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

Systemtic Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Openeye Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-tosyloxyphenyl)propionic acid Formula: C31H27NO7S MolecularWeight: 557.61358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C31H27NO7S/c1-20-13-15-23(16-14-20)40(36,37)39-22-8-6-7-21(17-22)28(30(33)34)18-32-31(35)38-19-29-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29/h2-17,28-29H,18-19H2,1H3,(H,32,35)(H,33,34)