N-(1-adamantylmethyl)-5-[(3R)-3,4-bis(oxidanyl)butyl]-2-chloranyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-5-[(3R)-3,4-bis(oxidanyl)butyl]-2-chloranyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[(3R)-3,4-dihydroxybutyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[(3R)-3,4-dihydroxybutyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[(3R)-3,4-dihydroxybutyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[(3R)-3,4-dihydroxybutyl]benzamide Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCC(CO)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CC[C@H](CO)O)Cl

InChI

InChI=1S/C22H30ClNO3/c23-20-4-2-14(1-3-18(26)12-25)8-19(20)21(27)24-13-22-9-15-5-16(10-22)7-17(6-15)11-22/h2,4,8,15-18,25-26H,1,3,5-7,9-13H2,(H,24,27)/t15?,16?,17?,18-,22?/m1/s1