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

Systemtic Name: 4,6-bis(chloranyl)-5-[3-(nonylcarbamoyl)-4-oxidanyl-phenoxy]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-5-[4-hydroxy-3-(nonylcarbamoyl)phenoxy]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-5-[4-hydroxy-3-[(nonylamino)-oxomethyl]phenoxy]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-5-[4-hydroxy-3-(nonylcarbamoyl)phenoxy]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-5-[4-hydroxy-3-(nonylcarbamoyl)phenoxy]-1H-indole-2-carboxylic acid Formula: C25H28Cl2N2O5 MolecularWeight: 507.40622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28Cl2N2O5/c1-2-3-4-5-6-7-8-11-28-24(31)17-12-15(9-10-21(17)30)34-23-18(26)14-19-16(22(23)27)13-20(29-19)25(32)33/h9-10,12-14,29-30H,2-8,11H2,1H3,(H,28,31)(H,32,33)