3-chloranyl-N-[2-(3-methylphenoxy)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(3-methylphenoxy)ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-(3-methylphenoxy)ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-(3-methylphenoxy)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-(3-methylphenoxy)ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-(3-methylphenoxy)ethyl]adamantane-1-carboxamide Formula: C20H26ClNO2 MolecularWeight: 347.87894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H26ClNO2/c1-14-3-2-4-17(7-14)24-6-5-22-18(23)19-9-15-8-16(10-19)12-20(21,11-15)13-19/h2-4,7,15-16H,5-6,8-13H2,1H3,(H,22,23)