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

Systemtic Name: 4,6-bis(chloranyl)-5-[3-(cyclopentylcarbamoyl)-4-oxidanyl-phenoxy]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-5-[3-(cyclopentylcarbamoyl)-4-hydroxy-phenoxy]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-5-[3-[(cyclopentylamino)-oxomethyl]-4-hydroxyphenoxy]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-5-[3-(cyclopentylcarbamoyl)-4-hydroxyphenoxy]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-5-[3-(cyclopentylcarbamoyl)-4-hydroxy-phenoxy]-1H-indole-2-carboxylic acid Formula: C21H18Cl2N2O5 MolecularWeight: 449.28402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Cl)C=C(N4)C(=O)O)Cl)O

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Cl)C=C(N4)C(=O)O)Cl)O

InChI

InChI=1S/C21H18Cl2N2O5/c22-14-9-15-12(8-16(25-15)21(28)29)18(23)19(14)30-11-5-6-17(26)13(7-11)20(27)24-10-3-1-2-4-10/h5-10,25-26H,1-4H2,(H,24,27)(H,28,29)