2-[[3,5-bis(chloranyl)-4-(4-oxidanyl-4-propan-2-yl-cyclohexa-2,5-dien-1-yl)oxy-phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(chloranyl)-4-(4-oxidanyl-4-propan-2-yl-cyclohexa-2,5-dien-1-yl)oxy-phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3,5-dichloro-4-(4-hydroxy-4-isopropyl-cyclohexa-2,5-dien-1-yl)oxy-benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[3,5-dichloro-4-[(4-hydroxy-4-propan-2-yl-1-cyclohexa-2,5-dienyl)oxy]phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[3,5-dichloro-4-(4-hydroxy-4-propan-2-ylcyclohexa-2,5-dien-1-yl)oxybenzoyl]-methylamino]acetic acid Traditional Name: 2-[[3,5-dichloro-4-(4-hydroxy-4-isopropyl-cyclohexa-2,5-dien-1-yl)oxy-benzoyl]-methyl-amino]acetic acid Formula: C19H21Cl2NO5 MolecularWeight: 414.27974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C=CC(C=C1)OC2=C(C=C(C=C2Cl)C(=O)N(C)CC(=O)O)Cl)O

Isomeric SMILES

CC(C)C1(C=CC(C=C1)OC2=C(C=C(C=C2Cl)C(=O)N(C)CC(=O)O)Cl)O

InChI

InChI=1S/C19H21Cl2NO5/c1-11(2)19(26)6-4-13(5-7-19)27-17-14(20)8-12(9-15(17)21)18(25)22(3)10-16(23)24/h4-9,11,13,26H,10H2,1-3H3,(H,23,24)