tert-butyl 3-(hydroxymethyl)-7-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-7-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 7-benzyloxy-3-(hydroxymethyl)indole-1-carboxylate CAS Name: 3-(hydroxymethyl)-7-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-7-phenylmethoxyindole-1-carboxylate Traditional Name: 7-benzoxy-3-methylol-indole-1-carboxylic acid tert-butyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-12-16(13-23)17-10-7-11-18(19(17)22)25-14-15-8-5-4-6-9-15/h4-12,23H,13-14H2,1-3H3