(E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-bromanyl-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenethyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenethyloxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenethyloxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3-bromo-5-ethoxy-4-phenethyloxy-phenyl)acrylic acid Formula: C26H24BrNO5 MolecularWeight: 510.37646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H24BrNO5/c1-2-32-23-17-19(15-21(27)24(23)33-14-13-18-9-5-3-6-10-18)16-22(26(30)31)28-25(29)20-11-7-4-8-12-20/h3-12,15-17H,2,13-14H2,1H3,(H,28,29)(H,30,31)/b22-16+