methyl 2-[6-[(2-butyl-1-benzofuran-3-yl)methyl]-1-iodanyl-naphthalen-2-yl]oxy-3-phenyl-propanoate

Systemtic Name: methyl 2-[6-[(2-butyl-1-benzofuran-3-yl)methyl]-1-iodanyl-naphthalen-2-yl]oxy-3-phenyl-propanoate Openeye Name: methyl 2-[[6-[(2-butylbenzofuran-3-yl)methyl]-1-iodo-2-naphthyl]oxy]-3-phenyl-propanoate CAS Name: 2-[[6-[(2-butyl-3-benzofuranyl)methyl]-1-iodo-2-naphthalenyl]oxy]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[6-[(2-butyl-1-benzofuran-3-yl)methyl]-1-iodonaphthalen-2-yl]oxy-3-phenylpropanoate Traditional Name: 2-[6-[(2-butylbenzofuran-3-yl)methyl]-1-iodo-2-naphthoxy]-3-phenyl-propionic acid methyl ester Formula: C33H31IO4 MolecularWeight: 618.50131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)OC)I

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)OC)I

InChI

InChI=1S/C33H31IO4/c1-3-4-13-29-27(26-12-8-9-14-28(26)37-29)20-23-15-17-25-24(19-23)16-18-30(32(25)34)38-31(33(35)36-2)21-22-10-6-5-7-11-22/h5-12,14-19,31H,3-4,13,20-21H2,1-2H3