3-[[2-[ethyl(phenyl)amino]ethylamino]methyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[2-[ethyl(phenyl)amino]ethylamino]methyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[[2-(N-ethylanilino)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[2-(N-ethylanilino)ethylamino]methyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[2-(N-ethylanilino)ethylamino]methyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[[2-(N-ethylanilino)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNCC1=C(N(C2=CC=CC=C21)C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(CCNCC1=C(N(C2=CC=CC=C21)C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-3-24(16-9-5-4-6-10-16)14-13-22-15-18-17-11-7-8-12-19(17)23(2)20(18)21(25)26/h4-12,22H,3,13-15H2,1-2H3,(H,25,26)