2-acetamido-2-[3-[4-(1-acetamido-2-oxidanyl-2-oxidanylidene-ethyl)-2-chloranyl-phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-acetamido-2-[3-[4-(1-acetamido-2-oxidanyl-2-oxidanylidene-ethyl)-2-chloranyl-phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-acetamido-2-[3-[4-(1-acetamido-2-hydroxy-2-oxo-ethyl)-2-chloro-phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-acetamido-2-[3-[4-(1-acetamido-2-hydroxy-2-oxoethyl)-2-chlorophenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-acetamido-2-[3-[4-(1-acetamido-2-hydroxy-2-oxoethyl)-2-chlorophenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-acetamido-2-[3-[4-(1-acetamido-2-hydroxy-2-keto-ethyl)-2-chloro-phenoxy]-4-methoxy-phenyl]acetic acid Formula: C21H21ClN2O8 MolecularWeight: 464.85304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC(=C(C=C1)OC)OC2=C(C=C(C=C2)C(C(=O)O)NC(=O)C)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(C1=CC(=C(C=C1)OC)OC2=C(C=C(C=C2)C(C(=O)O)NC(=O)C)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O8/c1-10(25)23-18(20(27)28)12-4-6-15(14(22)8-12)32-17-9-13(5-7-16(17)31-3)19(21(29)30)24-11(2)26/h4-9,18-19H,1-3H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)