3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid

Systemtic Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Openeye Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid IUPAC Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-(4-tosyloxyphenyl)butyric acid Formula: C33H31NO7S MolecularWeight: 585.66674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H31NO7S/c1-22-10-16-26(17-11-22)42(38,39)41-25-14-12-23(13-15-25)18-24(19-32(35)36)20-34-33(37)40-21-31-29-8-4-2-6-27(29)28-7-3-5-9-30(28)31/h2-17,24,31H,18-21H2,1H3,(H,34,37)(H,35,36)