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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)-[(3-methyl-1-oxobutyl)amino]methyl]-3-methylbutanamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide Traditional Name: N-[(4-butoxy-3-methoxy-phenyl)-(isovalerylamino)methyl]-3-methyl-butyramide Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(NC(=O)CC(C)C)NC(=O)CC(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(NC(=O)CC(C)C)NC(=O)CC(C)C)OC

InChI

InChI=1S/C22H36N2O4/c1-7-8-11-28-18-10-9-17(14-19(18)27-6)22(23-20(25)12-15(2)3)24-21(26)13-16(4)5/h9-10,14-16,22H,7-8,11-13H2,1-6H3,(H,23,25)(H,24,26)