3,5-bis(chloranyl)-2-oxidanyl-4-[4-(phenylmethoxycarbonylamino)butoxy]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-oxidanyl-4-[4-(phenylmethoxycarbonylamino)butoxy]benzoic acid Openeye Name: 4-[4-(benzyloxycarbonylamino)butoxy]-3,5-dichloro-2-hydroxy-benzoic acid CAS Name: 3,5-dichloro-2-hydroxy-4-[4-(phenylmethoxycarbonylamino)butoxy]benzoic acid IUPAC Name: 3,5-dichloro-2-hydroxy-4-[4-(phenylmethoxycarbonylamino)butoxy]benzoic acid Traditional Name: 4-[4-(benzyloxycarbonylamino)butoxy]-3,5-dichloro-2-hydroxy-benzoic acid Formula: C19H19Cl2NO6 MolecularWeight: 428.26326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCOC2=C(C=C(C(=C2Cl)O)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCOC2=C(C=C(C(=C2Cl)O)C(=O)O)Cl

InChI

InChI=1S/C19H19Cl2NO6/c20-14-10-13(18(24)25)16(23)15(21)17(14)27-9-5-4-8-22-19(26)28-11-12-6-2-1-3-7-12/h1-3,6-7,10,23H,4-5,8-9,11H2,(H,22,26)(H,24,25)