sodium 3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-indole-6-carboxylate

Systemtic Name: sodium 3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-indole-6-carboxylate Openeye Name: sodium 3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-indole-6-carboxylate CAS Name: sodium 3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-6-indolecarboxylate IUPAC Name: sodium 3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethylindole-6-carboxylate Traditional Name: sodium 2-amyl-5-methyl-3-methylol-1-phenethyl-indole-6-carboxylate Formula: C24H28NNaO3 MolecularWeight: 401.47379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)[O-])C)CO.[Na+]

Isomeric SMILES

CCCCCC1=C(C2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)[O-])C)CO.[Na+]

InChI

InChI=1S/C24H29NO3.Na/c1-3-4-6-11-22-21(16-26)20-14-17(2)19(24(27)28)15-23(20)25(22)13-12-18-9-7-5-8-10-18;/h5,7-10,14-15,26H,3-4,6,11-13,16H2,1-2H3,(H,27,28);/q;+1/p-1