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

Systemtic Name: 2-bromanyl-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-bromo-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]phenolate CAS Name: 2-bromo-6-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-bromo-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-bromo-6-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]phenolate Formula: C26H26BrN2O3- MolecularWeight: 494.40024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O3/c1-3-4-10-25(30)29-23-12-11-21(16-24(23)32-2)28-17-20-14-19(15-22(27)26(20)31)13-18-8-6-5-7-9-18/h5-9,11-12,14-17,31H,3-4,10,13H2,1-2H3,(H,29,30)/p-1