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

Systemtic Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-hexyl-adamantane-1-carboxamide Openeye Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-azetidin-1-yl]-N-hexyl-adamantane-1-carboxamide CAS Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-1-azetidinyl]-N-hexyl-1-adamantanecarboxamide IUPAC Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]-N-hexyladamantane-1-carboxamide Traditional Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-4-keto-3,3-dimethyl-azetidin-1-yl]-N-hexyl-adamantane-1-carboxamide Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-4-5-6-7-11-30-26(32)29-14-18-12-19(15-29)23(20(13-18)16-29)31-25(28(2,3)27(31)33)21-9-8-10-22-24(21)35-17-34-22/h8-10,18-20,23,25H,4-7,11-17H2,1-3H3,(H,30,32)/t18?,19-,20?,23?,25?,29?/m0/s1