3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantane-1-carboxamide Openeye Name: 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantane-1-carboxamide CAS Name: 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-phenyl-N-(3,4,5-trimethoxybenzyl)adamantane-1-carboxamide Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H33NO4/c1-30-22-10-18(11-23(31-2)24(22)32-3)16-28-25(29)27-14-19-9-20(15-27)13-26(12-19,17-27)21-7-5-4-6-8-21/h4-8,10-11,19-20H,9,12-17H2,1-3H3,(H,28,29)