phenacyl 4-(2-aminophenyl)-2,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate

Systemtic Name: phenacyl 4-(2-aminophenyl)-2,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate Openeye Name: phenacyl 4-(2-aminophenyl)-2,5-bis[3-(tert-butoxycarbonylamino)propoxy]benzoate CAS Name: 4-(2-aminophenyl)-2,5-bis[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(2-aminophenyl)-2,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate Traditional Name: 4-(2-aminophenyl)-2,5-bis[3-(tert-butoxycarbonylamino)propoxy]benzoic acid phenacyl ester Formula: C37H47N3O9 MolecularWeight: 677.78378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=CC(=C(C=C1C2=CC=CC=C2N)OCCCNC(=O)OC(C)(C)C)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=CC(=C(C=C1C2=CC=CC=C2N)OCCCNC(=O)OC(C)(C)C)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C37H47N3O9/c1-36(2,3)48-34(43)39-18-12-20-45-31-23-28(33(42)47-24-30(41)25-14-8-7-9-15-25)32(22-27(31)26-16-10-11-17-29(26)38)46-21-13-19-40-35(44)49-37(4,5)6/h7-11,14-17,22-23H,12-13,18-21,24,38H2,1-6H3,(H,39,43)(H,40,44)