tert-butyl 2-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]ethanoate Openeye Name: tert-butyl 2-[5-[2-(benzyloxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]acetate CAS Name: 2-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]acetate Traditional Name: 2-[5-[2-(benzyloxycarbonylamino)ethyl]-1,3-benzodioxol-2-yl]acetic acid tert-butyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1OC2=C(O1)C=C(C=C2)CCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC1OC2=C(O1)C=C(C=C2)CCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO6/c1-23(2,3)30-20(25)14-21-28-18-10-9-16(13-19(18)29-21)11-12-24-22(26)27-15-17-7-5-4-6-8-17/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,24,26)