3-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[4-(3-methylbutanoylamino)phenyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[4-(3-methylbutanoylamino)phenyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[4-(isovalerylamino)phenyl]-4-propoxy-benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C21H25BrN2O3/c1-4-11-27-19-10-5-15(13-18(19)22)21(26)24-17-8-6-16(7-9-17)23-20(25)12-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,25)(H,24,26)