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

Systemtic Name: (5S,7R)-3-chloranyl-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-methyl-N-(2,3,4-trimethoxybenzyl)adamantane-1-carboxamide Formula: C22H30ClNO4 MolecularWeight: 407.9309

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H30ClNO4/c1-24(12-16-5-6-17(26-2)19(28-4)18(16)27-3)20(25)21-8-14-7-15(9-21)11-22(23,10-14)13-21/h5-6,14-15H,7-13H2,1-4H3/t14-,15+,21?,22?