5-[3-(butylcarbamoyl)-4-oxidanyl-phenoxy]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid

Systemtic Name: 5-[3-(butylcarbamoyl)-4-oxidanyl-phenoxy]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid Openeye Name: 5-[3-(butylcarbamoyl)-4-hydroxy-phenoxy]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 5-[3-[butylamino(oxo)methyl]-4-hydroxyphenoxy]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-(butylcarbamoyl)-4-hydroxyphenoxy]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 5-[3-(butylcarbamoyl)-4-hydroxy-phenoxy]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C20H18Cl2N2O5 MolecularWeight: 437.27332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl)O

Isomeric SMILES

CCCCNC(=O)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl)O

InChI

InChI=1S/C20H18Cl2N2O5/c1-2-3-6-23-19(26)12-7-10(4-5-16(12)25)29-18-13(21)9-14-11(17(18)22)8-15(24-14)20(27)28/h4-5,7-9,24-25H,2-3,6H2,1H3,(H,23,26)(H,27,28)