[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate; methanesulfonic acid

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate; methanesulfonic acid Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) (E)-3-(4-acetoxyphenyl)prop-2-enoate; methanesulfonic acid CAS Name: (E)-3-(4-acetyloxyphenyl)-2-propenoic acid (2-benzoyl-4-carbamimidoylphenyl) ester; methanesulfonic acid IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate; methanesulfonic acid Traditional Name: (E)-3-(4-acetoxyphenyl)acrylic acid (4-amidino-2-benzoyl-phenyl) ester; mesylic acid Formula: C26H24N2O8S MolecularWeight: 524.54236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C25H20N2O5.CH4O3S/c1-16(28)31-20-11-7-17(8-12-20)9-14-23(29)32-22-13-10-19(25(26)27)15-21(22)24(30)18-5-3-2-4-6-18;1-5(2,3)4/h2-15H,1H3,(H3,26,27);1H3,(H,2,3,4)/b14-9+;