(phenylmethyl) 6-butoxynaphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-butoxynaphthalene-2-carboxylate Openeye Name: benzyl 6-butoxynaphthalene-2-carboxylate CAS Name: 6-butoxy-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-butoxynaphthalene-2-carboxylate Traditional Name: 6-butoxynaphthalene-2-carboxylic acid benzyl ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22O3/c1-2-3-13-24-21-12-11-18-14-20(10-9-19(18)15-21)22(23)25-16-17-7-5-4-6-8-17/h4-12,14-15H,2-3,13,16H2,1H3