methyl 2-[[3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[3-[3-bromo-5-ethoxy-4-(m-tolylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[3-[3-bromo-5-ethoxy-4-(3-methylbenzyl)oxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C28H25BrN2O5 MolecularWeight: 549.4125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)Br)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C28H25BrN2O5/c1-4-35-25-15-20(14-23(29)26(25)36-17-19-9-7-8-18(2)12-19)13-21(16-30)27(32)31-24-11-6-5-10-22(24)28(33)34-3/h5-15H,4,17H2,1-3H3,(H,31,32)