3-[2-carboxy-3-(dimethylamino)butyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-carboxy-3-(dimethylamino)butyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid Openeye Name: 3-[2-carboxy-3-(dimethylamino)butyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-carboxy-3-(dimethylamino)butyl]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-carboxy-3-(dimethylamino)butyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-carboxy-3-(dimethylamino)butyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C16H18Cl2N2O4 MolecularWeight: 373.23112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)O)C(=O)O)N(C)C

Isomeric SMILES

CC(C(CC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)O)C(=O)O)N(C)C

InChI

InChI=1S/C16H18Cl2N2O4/c1-7(20(2)3)9(15(21)22)6-10-13-11(18)4-8(17)5-12(13)19-14(10)16(23)24/h4-5,7,9,19H,6H2,1-3H3,(H,21,22)(H,23,24)