2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[3-(dimethylamino)propylamino]ethanoic acid

Systemtic Name: 2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[3-(dimethylamino)propylamino]ethanoic acid Openeye Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-[3-(dimethylamino)propylamino]acetic acid CAS Name: 2-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-[3-(dimethylamino)propylamino]acetic acid IUPAC Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-[3-(dimethylamino)propylamino]acetic acid Traditional Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-[3-(dimethylamino)propylamino]acetic acid Formula: C17H22BrN3O4 MolecularWeight: 412.27828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(C1=CN(C2=C1C=CC(=C2)Br)CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCNC(C1=CN(C2=C1C=CC(=C2)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H22BrN3O4/c1-20(2)7-3-6-19-16(17(24)25)13-9-21(10-15(22)23)14-8-11(18)4-5-12(13)14/h4-5,8-9,16,19H,3,6-7,10H2,1-2H3,(H,22,23)(H,24,25)