3-[[3-[3-bromanyl-4-[(4-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[3-bromanyl-4-[(4-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-4-(p-tolylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-4-(4-methylbenzyl)oxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C25H19BrN2O4/c1-16-5-7-17(8-6-16)15-32-23-10-9-18(12-22(23)26)11-20(14-27)24(29)28-21-4-2-3-19(13-21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)