5-methoxy-1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-5-methoxy-indoline-2-carboxylic acid CAS Name: 5-methoxy-1-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5-methoxy-1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-5-methoxy-indoline-2-carboxylic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O6/c1-14(2)20(24-23(29)31-13-15-7-5-4-6-8-15)21(26)25-18-10-9-17(30-3)11-16(18)12-19(25)22(27)28/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,29)(H,27,28)