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

Systemtic Name: N-[4-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(3,4-dimethoxyphenyl)methyl-ethylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(3,4-dimethoxyphenyl)methyl-ethylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[ethyl(veratryl)amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4/c1-4-28(17-18-7-8-22(31-2)23(13-18)32-3)24(29)6-5-9-27-25(30)26-14-19-10-20(15-26)12-21(11-19)16-26/h7-8,13,19-21H,4-6,9-12,14-17H2,1-3H3,(H,27,30)