(5S,7R)-3-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-homoveratryl-N-methyl-adamantane-1-carboxamide Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H30ClNO3/c1-24(7-6-15-4-5-18(26-2)19(9-15)27-3)20(25)21-10-16-8-17(11-21)13-22(23,12-16)14-21/h4-5,9,16-17H,6-8,10-14H2,1-3H3/t16-,17+,21?,22?