(3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-octyl-adamantane-1-carboxamide

Systemtic Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-octyl-adamantane-1-carboxamide Openeye Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-azetidin-1-yl]-N-octyl-adamantane-1-carboxamide CAS Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-1-azetidinyl]-N-octyl-1-adamantanecarboxamide IUPAC Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]-N-octyladamantane-1-carboxamide Traditional Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-4-keto-3,3-dimethyl-azetidin-1-yl]-N-octyl-adamantane-1-carboxamide Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C12CC3CC(C1)C(C(C3)C2)N4C(C(C4=O)(C)C)C5=C6C(=CC=C5)OCO6

Isomeric SMILES

CCCCCCCCNC(=O)C12C[C@@H]3CC(C1)CC(C2)C3N4C(C(C4=O)(C)C)C5=C6C(=CC=C5)OCO6

InChI

InChI=1S/C31H44N2O4/c1-4-5-6-7-8-9-13-32-28(34)31-16-20-14-21(17-31)25(22(15-20)18-31)33-27(30(2,3)29(33)35)23-11-10-12-24-26(23)37-19-36-24/h10-12,20-22,25,27H,4-9,13-19H2,1-3H3,(H,32,34)/t20?,21-,22?,25?,27?,31?/m0/s1