(4-carbamimidoylphenyl) (E)-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-3-[4-(1-methylbutylcarbamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[oxo-(pentan-2-ylamino)methyl]phenyl]-2-propenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[4-(pentan-2-ylcarbamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(1-methylbutylcarbamoyl)phenyl]acrylic acid (4-amidinophenyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCC(C)NC(=O)C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H25N3O3/c1-3-4-15(2)25-22(27)18-8-5-16(6-9-18)7-14-20(26)28-19-12-10-17(11-13-19)21(23)24/h5-15H,3-4H2,1-2H3,(H3,23,24)(H,25,27)/b14-7+