2-[[2-carboxy-4,6-bis(chloranyl)-1H-indol-3-yl]methyl]-3-(dimethylamino)butanoate

Systemtic Name: 2-[[2-carboxy-4,6-bis(chloranyl)-1H-indol-3-yl]methyl]-3-(dimethylamino)butanoate Openeye Name: 2-[(2-carboxy-4,6-dichloro-1H-indol-3-yl)methyl]-3-(dimethylamino)butanoate CAS Name: 2-[(2-carboxy-4,6-dichloro-1H-indol-3-yl)methyl]-3-(dimethylamino)butanoate IUPAC Name: 2-[(2-carboxy-4,6-dichloro-1H-indol-3-yl)methyl]-3-(dimethylamino)butanoate Traditional Name: 2-[(2-carboxy-4,6-dichloro-1H-indol-3-yl)methyl]-3-(dimethylamino)butyrate Formula: C16H17Cl2N2O4- MolecularWeight: 372.22318

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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)/p-1