N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-methoxy-N-propyl-benzamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-methoxy-N-propyl-benzamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-methoxy-N-propyl-benzamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-4-methoxy-N-propylbenzamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-methoxy-N-propylbenzamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-4-methoxy-N-propyl-benzamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C25H35N3O3/c1-7-14-28(25(30)19-8-11-22(31-6)12-9-19)17-20-16-21(10-13-23(20)27(4)5)26-24(29)15-18(2)3/h8-13,16,18H,7,14-15,17H2,1-6H3,(H,26,29)