2-[[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-[[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid Openeye Name: 2-[benzyl-[[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]amino]butanoic acid CAS Name: 2-[[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[benzyl-[[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]amino]butanoic acid Traditional Name: 2-[benzyl-[3-[2-(4-methylsulfonyloxyphenyl)ethoxy]benzyl]amino]butyric acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC(=CC=C2)OCCC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC(=CC=C2)OCCC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C27H31NO6S/c1-3-26(27(29)30)28(19-22-8-5-4-6-9-22)20-23-10-7-11-25(18-23)33-17-16-21-12-14-24(15-13-21)34-35(2,31)32/h4-15,18,26H,3,16-17,19-20H2,1-2H3,(H,29,30)