(4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]but-2-enoate

Systemtic Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-oxidanyl-phenyl]but-2-enoate Openeye Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]but-2-enoate CAS Name: (E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-butenoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) (E)-3-[4-(diethylamino)-2-hydroxyphenyl]but-2-enoate Traditional Name: (E)-3-[4-(diethylamino)-2-hydroxy-phenyl]but-2-enoic acid (4-amidinophenyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=CC(=O)OC2=CC=C(C=C2)C(=N)N)C)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C(=C/C(=O)OC2=CC=C(C=C2)C(=N)N)/C)O

InChI

InChI=1S/C21H25N3O3/c1-4-24(5-2)16-8-11-18(19(25)13-16)14(3)12-20(26)27-17-9-6-15(7-10-17)21(22)23/h6-13,25H,4-5H2,1-3H3,(H3,22,23)/b14-12+