(4-cyclohexyl-2-oxidanyl-phenyl) (E)-4-[3,4,5-tris(azanyl)phenyl]but-3-enoate

Systemtic Name: (4-cyclohexyl-2-oxidanyl-phenyl) (E)-4-[3,4,5-tris(azanyl)phenyl]but-3-enoate Openeye Name: (4-cyclohexyl-2-hydroxy-phenyl) (E)-4-(3,4,5-triaminophenyl)but-3-enoate CAS Name: (E)-4-(3,4,5-triaminophenyl)-3-butenoic acid (4-cyclohexyl-2-hydroxyphenyl) ester IUPAC Name: (4-cyclohexyl-2-hydroxyphenyl) (E)-4-(3,4,5-triaminophenyl)but-3-enoate Traditional Name: (E)-4-(3,4,5-triaminophenyl)but-3-enoic acid (4-cyclohexyl-2-hydroxy-phenyl) ester Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=C(C=C2)OC(=O)CC=CC3=CC(=C(C(=C3)N)N)N)O

Isomeric SMILES

C1CCC(CC1)C2=CC(=C(C=C2)OC(=O)C/C=C/C3=CC(=C(C(=C3)N)N)N)O

InChI

InChI=1S/C22H27N3O3/c23-17-11-14(12-18(24)22(17)25)5-4-8-21(27)28-20-10-9-16(13-19(20)26)15-6-2-1-3-7-15/h4-5,9-13,15,26H,1-3,6-8,23-25H2/b5-4+