3,3-dimethyl-1-[2-(phenylmethoxycarbonylamino)butanoyl]-2H-indole-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-1-[2-(phenylmethoxycarbonylamino)butanoyl]-2H-indole-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)butanoyl]-3,3-dimethyl-indoline-2-carboxylic acid CAS Name: 3,3-dimethyl-1-[1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2H-indole-2-carboxylic acid IUPAC Name: 3,3-dimethyl-1-[2-(phenylmethoxycarbonylamino)butanoyl]-2H-indole-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)butanoyl]-3,3-dimethyl-indoline-2-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-4-17(24-22(29)30-14-15-10-6-5-7-11-15)20(26)25-18-13-9-8-12-16(18)23(2,3)19(25)21(27)28/h5-13,17,19H,4,14H2,1-3H3,(H,24,29)(H,27,28)