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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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