tert-butyl 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: tert-butyl 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: tert-butyl 2-[(6-chloro-1,3-benzodioxol-5-yl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(6-chloro-1,3-benzodioxol-5-yl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(6-chloro-1,3-benzodioxol-5-yl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methoxycarbonylamino]-3-(1H-indol-3-yl)propionic acid tert-butyl ester Formula: C24H25ClN2O6 MolecularWeight: 472.9181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C24H25ClN2O6/c1-24(2,3)33-22(28)19(8-14-11-26-18-7-5-4-6-16(14)18)27-23(29)30-12-15-9-20-21(10-17(15)25)32-13-31-20/h4-7,9-11,19,26H,8,12-13H2,1-3H3,(H,27,29)