3-bromanyl-5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-4-propoxy-benzamide Openeye Name: 3-bromo-5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-propoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[4-(isobutyrylamino)phenyl]-5-methoxy-4-propoxy-benzamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C)OC

InChI

InChI=1S/C21H25BrN2O4/c1-5-10-28-19-17(22)11-14(12-18(19)27-4)21(26)24-16-8-6-15(7-9-16)23-20(25)13(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,23,25)(H,24,26)