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

Systemtic Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Openeye Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-tosyloxyphenyl)butyric acid Formula: C32H29NO7S MolecularWeight: 571.64016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H29NO7S/c1-21-13-15-25(16-14-21)41(37,38)40-24-8-6-7-22(17-24)23(18-31(34)35)19-33-32(36)39-20-30-28-11-4-2-9-26(28)27-10-3-5-12-29(27)30/h2-17,23,30H,18-20H2,1H3,(H,33,36)(H,34,35)