ethyl 7-bromanyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]naphthalene-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]naphthalene-2-carboxylate Openeye Name: ethyl 7-bromo-3-[3-(tert-butoxycarbonylamino)propoxy]naphthalene-2-carboxylate CAS Name: 7-bromo-3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]naphthalene-2-carboxylate Traditional Name: 7-bromo-3-[3-(tert-butoxycarbonylamino)propoxy]naphthalene-2-carboxylic acid ethyl ester Formula: C21H26BrNO5 MolecularWeight: 452.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=CC(=CC2=C1)Br)OCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=CC(=CC2=C1)Br)OCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26BrNO5/c1-5-26-19(24)17-12-15-11-16(22)8-7-14(15)13-18(17)27-10-6-9-23-20(25)28-21(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,25)