N-[(3-methoxy-4-octoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide

Systemtic Name: N-[(3-methoxy-4-octoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide Openeye Name: N-[(3-methoxy-4-octoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide CAS Name: N-[(3-methoxy-4-octoxyphenyl)-[(3-methyl-1-oxobutyl)amino]methyl]-3-methylbutanamide IUPAC Name: N-[(3-methoxy-4-octoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide Traditional Name: N-[(isovalerylamino)-(3-methoxy-4-octoxy-phenyl)methyl]-3-methyl-butyramide Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(NC(=O)CC(C)C)NC(=O)CC(C)C)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(NC(=O)CC(C)C)NC(=O)CC(C)C)OC

InChI

InChI=1S/C26H44N2O4/c1-7-8-9-10-11-12-15-32-22-14-13-21(18-23(22)31-6)26(27-24(29)16-19(2)3)28-25(30)17-20(4)5/h13-14,18-20,26H,7-12,15-17H2,1-6H3,(H,27,29)(H,28,30)