2-bromanyl-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-(phenylmethyl)phenolate

Systemtic Name: 2-bromanyl-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-bromo-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]phenolate CAS Name: 2-bromo-6-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-bromo-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-bromo-6-[[3-(isobutyrylamino)phenyl]iminomethyl]phenolate Formula: C24H22BrN2O2- MolecularWeight: 450.34768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])Br)CC3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2O2/c1-16(2)24(29)27-21-10-6-9-20(14-21)26-15-19-12-18(13-22(25)23(19)28)11-17-7-4-3-5-8-17/h3-10,12-16,28H,11H2,1-2H3,(H,27,29)/p-1