3-(hydroxymethyl)-4,5-dimethyl-2-pentyl-1-phenethyl-indole-6-carboxylate

Systemtic Name: 3-(hydroxymethyl)-4,5-dimethyl-2-pentyl-1-phenethyl-indole-6-carboxylate Openeye Name: 3-(hydroxymethyl)-4,5-dimethyl-2-pentyl-1-phenethyl-indole-6-carboxylate CAS Name: 3-(hydroxymethyl)-4,5-dimethyl-2-pentyl-1-phenethyl-6-indolecarboxylate IUPAC Name: 3-(hydroxymethyl)-4,5-dimethyl-2-pentyl-1-phenethylindole-6-carboxylate Traditional Name: 2-amyl-4,5-dimethyl-3-methylol-1-phenethyl-indole-6-carboxylate Formula: C25H30NO3- MolecularWeight: 392.5106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(N1CCC3=CC=CC=C3)C=C(C(=C2C)C)C(=O)[O-])CO

Isomeric SMILES

CCCCCC1=C(C2=C(N1CCC3=CC=CC=C3)C=C(C(=C2C)C)C(=O)[O-])CO

InChI

InChI=1S/C25H31NO3/c1-4-5-7-12-22-21(16-27)24-18(3)17(2)20(25(28)29)15-23(24)26(22)14-13-19-10-8-6-9-11-19/h6,8-11,15,27H,4-5,7,12-14,16H2,1-3H3,(H,28,29)/p-1