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

Systemtic Name: 3-[4,6-bis(chloranyl)-2-(2-dimethylaminoethyloxycarbonyl)-1H-indol-3-yl]propanoic acid Openeye Name: 3-[4,6-dichloro-2-(2-dimethylaminoethyloxycarbonyl)-1H-indol-3-yl]propanoic acid CAS Name: 3-[4,6-dichloro-2-[2-dimethylaminoethyloxy(oxo)methyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[4,6-dichloro-2-(2-dimethylaminoethyloxycarbonyl)-1H-indol-3-yl]propanoic acid Traditional Name: 3-[4,6-dichloro-2-(2-dimethylaminoethyloxycarbonyl)-1H-indol-3-yl]propionic acid Formula: C16H18Cl2N2O4 MolecularWeight: 373.23112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)CCC(=O)O

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)CCC(=O)O

InChI

InChI=1S/C16H18Cl2N2O4/c1-20(2)5-6-24-16(23)15-10(3-4-13(21)22)14-11(18)7-9(17)8-12(14)19-15/h7-8,19H,3-6H2,1-2H3,(H,21,22)