N'-[4-[2-(tert-butylcarbamoyl)azecan-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2,2,3-trimethyl-butanediamide

Systemtic Name: N'-[4-[2-(tert-butylcarbamoyl)azecan-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2,2,3-trimethyl-butanediamide Openeye Name: N'-[1-benzyl-3-[2-(tert-butylcarbamoyl)azecan-1-yl]-2-hydroxy-propyl]-2,2,3-trimethyl-butanediamide CAS Name: N'-[4-[2-[(tert-butylamino)-oxomethyl]-1-azecanyl]-3-hydroxy-1-phenylbutan-2-yl]-2,2,3-trimethylbutanediamide IUPAC Name: N'-[4-[2-(tert-butylcarbamoyl)azecan-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2,2,3-trimethylbutanediamide Traditional Name: N'-[1-benzyl-3-[2-(tert-butylcarbamoyl)azecan-1-yl]-2-hydroxy-propyl]-2,2,3-trimethyl-succinamide Formula: C31H52N4O4 MolecularWeight: 544.76898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(CN2CCCCCCCCC2C(=O)NC(C)(C)C)O)C(C)(C)C(=O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(CN2CCCCCCCCC2C(=O)NC(C)(C)C)O)C(C)(C)C(=O)N

InChI

InChI=1S/C31H52N4O4/c1-22(31(5,6)29(32)39)27(37)33-24(20-23-16-12-11-13-17-23)26(36)21-35-19-15-10-8-7-9-14-18-25(35)28(38)34-30(2,3)4/h11-13,16-17,22,24-26,36H,7-10,14-15,18-21H2,1-6H3,(H2,32,39)(H,33,37)(H,34,38)