N-[1-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[ethyl(veratryl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H40N2O4/c1-6-29(16-18-7-8-22(32-4)23(12-18)33-5)25(30)24(17(2)3)28-26(31)27-13-19-9-20(14-27)11-21(10-19)15-27/h7-8,12,17,19-21,24H,6,9-11,13-16H2,1-5H3,(H,28,31)