naphthalen-1-ylmethyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 1-naphthylmethyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid 1-naphthylmethyl ester Formula: C21H15BrO3 MolecularWeight: 395.246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15BrO3/c1-13-18-11-16(22)9-10-19(18)25-20(13)21(23)24-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12H2,1H3