N-(1-adamantylmethyl)-2-chloranyl-5-iodanyl-N-[(4-methoxyphenyl)methyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-iodanyl-N-[(4-methoxyphenyl)methyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-iodo-N-[(4-methoxyphenyl)methyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-iodo-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-iodo-N-[(4-methoxyphenyl)methyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-iodo-N-p-anisyl-benzamide Formula: C26H29ClINO2 MolecularWeight: 549.87143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=CC(=C5)I)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=CC(=C5)I)Cl

InChI

InChI=1S/C26H29ClINO2/c1-31-22-5-2-17(3-6-22)15-29(25(30)23-11-21(28)4-7-24(23)27)16-26-12-18-8-19(13-26)10-20(9-18)14-26/h2-7,11,18-20H,8-10,12-16H2,1H3