2-[4,6-bis(chloranyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-1H-indol-2-yl]propanoic acid

Systemtic Name: 2-[4,6-bis(chloranyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-1H-indol-2-yl]propanoic acid Openeye Name: 2-[4,6-dichloro-3-(3-ethoxy-3-oxo-propyl)-1H-indol-2-yl]propanoic acid CAS Name: 2-[4,6-dichloro-3-(3-ethoxy-3-oxopropyl)-1H-indol-2-yl]propanoic acid IUPAC Name: 2-[4,6-dichloro-3-(3-ethoxy-3-oxopropyl)-1H-indol-2-yl]propanoic acid Traditional Name: 2-[4,6-dichloro-3-(3-ethoxy-3-keto-propyl)-1H-indol-2-yl]propionic acid Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)CCC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(C)C(=O)O

InChI

InChI=1S/C16H17Cl2NO4/c1-3-23-13(20)5-4-10-14-11(18)6-9(17)7-12(14)19-15(10)8(2)16(21)22/h6-8,19H,3-5H2,1-2H3,(H,21,22)