(5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)adamantane-1-carboxamide Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H27NO4/c1-28-20-5-2-18(3-6-20)24-10-16-8-17(11-24)13-25(12-16,14-24)23(27)26-19-4-7-21-22(9-19)30-15-29-21/h2-7,9,16-17H,8,10-15H2,1H3,(H,26,27)/t16-,17+,24?,25?