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

Systemtic Name: 5-methoxy-1-[2-(phenylmethoxycarbonylamino)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)propanoyl]-5-methoxy-indoline-2-carboxylic acid CAS Name: 5-methoxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5-methoxy-1-[2-(phenylmethoxycarbonylamino)propanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)propanoyl]-5-methoxy-indoline-2-carboxylic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-13(22-21(27)29-12-14-6-4-3-5-7-14)19(24)23-17-9-8-16(28-2)10-15(17)11-18(23)20(25)26/h3-10,13,18H,11-12H2,1-2H3,(H,22,27)(H,25,26)