2-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-3-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)ethyl]-2-methyl-1H-indole-3-carboxylic acid CAS Name: 2-methyl-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-1H-indole-3-carboxylic acid IUPAC Name: 2-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-3-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)ethyl]-2-methyl-1H-indole-3-carboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-10-14(15(20)21)12-9-11(5-6-13(12)19-10)7-8-18-16(22)23-17(2,3)4/h5-6,9,19H,7-8H2,1-4H3,(H,18,22)(H,20,21)