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

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

CC(C1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)OCCN(C)C)C(=O)O

Isomeric SMILES

CC(C1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)OCCN(C)C)C(=O)O

InChI

InChI=1S/C16H18Cl2N2O4/c1-8(15(21)22)12-13-10(18)6-9(17)7-11(13)19-14(12)16(23)24-5-4-20(2)3/h6-8,19H,4-5H2,1-3H3,(H,21,22)