2-[(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)amino]-3-phenyl-propanoic acid CAS Name: 2-[(4-methoxycarbonyl-2-methylsulfonylphenoxy)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-methoxycarbonyl-2-methylsulfonylphenoxy)amino]-3-phenylpropanoic acid Traditional Name: 2-[(4-carbomethoxy-2-mesyl-phenoxy)amino]-3-phenyl-propionic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)ONC(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)ONC(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H19NO7S/c1-25-18(22)13-8-9-15(16(11-13)27(2,23)24)26-19-14(17(20)21)10-12-6-4-3-5-7-12/h3-9,11,14,19H,10H2,1-2H3,(H,20,21)