(phenylmethyl) 2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-indole-3-carboxylate Openeye Name: benzyl 5-[(tert-butoxycarbonylamino)methyl]-2-methyl-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-indole-3-carboxylate Traditional Name: 5-[(tert-butoxycarbonylamino)methyl]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CNC(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CNC(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-15-20(21(26)28-14-16-8-6-5-7-9-16)18-12-17(10-11-19(18)25-15)13-24-22(27)29-23(2,3)4/h5-12,25H,13-14H2,1-4H3,(H,24,27)