2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethyl-phenyl]propanedioic acid

Systemtic Name: 2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethyl-phenyl]propanedioic acid Openeye Name: 2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethyl-phenyl]propanedioic acid CAS Name: 2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethylphenyl]propanedioic acid IUPAC Name: 2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethylphenyl]propanedioic acid Traditional Name: 2-[2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-3,4-diethyl-phenyl]malonic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(C(=O)O)C(=O)O)CC2=C(NC3=CC=CC=C32)CCN(C)C)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(C(=O)O)C(=O)O)CC2=C(NC3=CC=CC=C32)CCN(C)C)CC

InChI

InChI=1S/C26H32N2O4/c1-5-16-11-12-19(24(25(29)30)26(31)32)20(17(16)6-2)15-21-18-9-7-8-10-22(18)27-23(21)13-14-28(3)4/h7-12,24,27H,5-6,13-15H2,1-4H3,(H,29,30)(H,31,32)