2-[3-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]pentan-3-yl]propanedioic acid

Systemtic Name: 2-[3-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]pentan-3-yl]propanedioic acid Openeye Name: 2-[1-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-1-ethyl-propyl]propanedioic acid CAS Name: 2-[3-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]pentan-3-yl]propanedioic acid IUPAC Name: 2-[3-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]pentan-3-yl]propanedioic acid Traditional Name: 2-[1-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-1-ethyl-propyl]malonic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=C(NC2=CC=CC=C21)CCN(C)C)C(C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)(CC1=C(NC2=CC=CC=C21)CCN(C)C)C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H30N2O4/c1-5-21(6-2,18(19(24)25)20(26)27)13-15-14-9-7-8-10-16(14)22-17(15)11-12-23(3)4/h7-10,18,22H,5-6,11-13H2,1-4H3,(H,24,25)(H,26,27)