methyl 3-[4-(2-azidoethyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-[4-(2-azidoethyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[4-(2-azidoethyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(2-azidoethyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-azidoethyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(2-azidoethyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCN=[N+]=[N-]

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCN=[N+]=[N-]

InChI

InChI=1S/C23H23N3O4/c1-3-4-5-20-21(18-14-17(23(28)29-2)10-11-19(18)30-20)22(27)16-8-6-15(7-9-16)12-13-25-26-24/h6-11,14H,3-5,12-13H2,1-2H3