N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-2-ethyl-N-(phenylmethyl)butanamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-2-ethyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-2-ethyl-butanamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-2-ethyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-2-ethylbutanamide Traditional Name: N-benzyl-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-2-ethyl-butyramide Formula: C27H39N3O2 MolecularWeight: 437.61746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC=CC=C1)CC2=C(C=CC(=C2)NC(=O)CC(C)C)N(C)C

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC=CC=C1)CC2=C(C=CC(=C2)NC(=O)CC(C)C)N(C)C

InChI

InChI=1S/C27H39N3O2/c1-7-22(8-2)27(32)30(18-21-12-10-9-11-13-21)19-23-17-24(14-15-25(23)29(5)6)28-26(31)16-20(3)4/h9-15,17,20,22H,7-8,16,18-19H2,1-6H3,(H,28,31)