N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethoxymethyl]benzamide; ethanoic acid

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethoxymethyl]benzamide; ethanoic acid Openeye Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethoxymethyl]benzamide CAS Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethoxymethyl]benzamide IUPAC Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethoxymethyl]benzamide Traditional Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethoxymethyl]benzamide Formula: C26H39ClN2O5 MolecularWeight: 495.05126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)COCCNCCCO)Cl

Isomeric SMILES

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)COCCNCCCO)Cl

InChI

InChI=1S/C24H35ClN2O3.C2H4O2/c25-22-3-2-17(15-30-7-5-26-4-1-6-28)11-21(22)23(29)27-16-24-12-18-8-19(13-24)10-20(9-18)14-24;1-2(3)4/h2-3,11,18-20,26,28H,1,4-10,12-16H2,(H,27,29);1H3,(H,3,4)