tert-butyl 3-(hydroxymethyl)-6-(phenylmethoxycarbonylamino)-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-6-(phenylmethoxycarbonylamino)-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 6-(benzyloxycarbonylamino)-3-(hydroxymethyl)indoline-1-carboxylate CAS Name: 3-(hydroxymethyl)-6-(phenylmethoxycarbonylamino)-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-6-(phenylmethoxycarbonylamino)-2,3-dihydroindole-1-carboxylate Traditional Name: 6-(benzyloxycarbonylamino)-3-methylol-indoline-1-carboxylic acid tert-butyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)24-12-16(13-25)18-10-9-17(11-19(18)24)23-20(26)28-14-15-7-5-4-6-8-15/h4-11,16,25H,12-14H2,1-3H3,(H,23,26)