N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide

Systemtic Name: N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide Openeye Name: 2-(4-benzyloxyphenoxy)-N-[(E)-(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]propanamide CAS Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide IUPAC Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide Traditional Name: 2-(4-benzoxyphenoxy)-N-[(E)-(5-bromo-2-propargyloxy-benzylidene)amino]propionamide Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=C(C=CC(=C1)Br)OCC#C)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OCC#C)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H23BrN2O4/c1-3-15-31-25-14-9-22(27)16-21(25)17-28-29-26(30)19(2)33-24-12-10-23(11-13-24)32-18-20-7-5-4-6-8-20/h1,4-14,16-17,19H,15,18H2,2H3,(H,29,30)/b28-17+