methyl 3-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: methyl 3-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: methyl 3-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 3-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)OC)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=CC(=C2)C(=O)OC)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22BrNO5/c1-30-22-14-18(13-21(26)24(22)32-16-17-7-4-3-5-8-17)11-12-23(28)27-20-10-6-9-19(15-20)25(29)31-2/h3-15H,16H2,1-2H3,(H,27,28)