1-butoxy-3-ethoxycarbonyl-4-propan-2-yloxy-naphthalene-2-carboxylate

Systemtic Name: 1-butoxy-3-ethoxycarbonyl-4-propan-2-yloxy-naphthalene-2-carboxylate Openeye Name: 1-butoxy-3-ethoxycarbonyl-4-isopropoxy-naphthalene-2-carboxylate CAS Name: 1-butoxy-3-ethoxycarbonyl-4-propan-2-yloxy-2-naphthalenecarboxylate IUPAC Name: 1-butoxy-3-ethoxycarbonyl-4-propan-2-yloxynaphthalene-2-carboxylate Traditional Name: 1-butoxy-3-carbethoxy-4-isopropoxy-2-naphthoate Formula: C21H25O6- MolecularWeight: 373.4196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=CC=CC=C21)OC(C)C)C(=O)OCC)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C(=C(C2=CC=CC=C21)OC(C)C)C(=O)OCC)C(=O)[O-]

InChI

InChI=1S/C21H26O6/c1-5-7-12-26-18-14-10-8-9-11-15(14)19(27-13(3)4)17(16(18)20(22)23)21(24)25-6-2/h8-11,13H,5-7,12H2,1-4H3,(H,22,23)/p-1