O1-methyl O6-(phenylmethyl) 2-(2-methylpropyl)indole-1,6-dicarboxylate

Systemtic Name: O1-methyl O6-(phenylmethyl) 2-(2-methylpropyl)indole-1,6-dicarboxylate Openeye Name: O6-benzyl O1-methyl 2-isobutylindole-1,6-dicarboxylate CAS Name: 2-(2-methylpropyl)indole-1,6-dicarboxylic acid O1-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-methyl 2-(2-methylpropyl)indole-1,6-dicarboxylate Traditional Name: 2-isobutylindole-1,6-dicarboxylic acid O6-benzyl ester O1-methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(N1C(=O)OC)C=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC2=C(N1C(=O)OC)C=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c1-15(2)11-19-12-17-9-10-18(13-20(17)23(19)22(25)26-3)21(24)27-14-16-7-5-4-6-8-16/h4-10,12-13,15H,11,14H2,1-3H3