methyl 4-[(3-heptyl-4-iodanyl-5-methyl-furan-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(3-heptyl-4-iodanyl-5-methyl-furan-2-yl)amino]benzoate Openeye Name: methyl 4-[(3-heptyl-4-iodo-5-methyl-2-furyl)amino]benzoate CAS Name: 4-[(3-heptyl-4-iodo-5-methyl-2-furanyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-heptyl-4-iodo-5-methylfuran-2-yl)amino]benzoate Traditional Name: 4-[(3-heptyl-4-iodo-5-methyl-2-furyl)amino]benzoic acid methyl ester Formula: C20H26INO3 MolecularWeight: 455.32981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(OC(=C1I)C)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCC1=C(OC(=C1I)C)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H26INO3/c1-4-5-6-7-8-9-17-18(21)14(2)25-19(17)22-16-12-10-15(11-13-16)20(23)24-3/h10-13,22H,4-9H2,1-3H3