6-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]hexyl 3,5-bis(azanyl)benzoate

Systemtic Name: 6-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]hexyl 3,5-bis(azanyl)benzoate Openeye Name: 6-(2,5-dioxo-3-phenyl-pyrrol-1-yl)hexyl 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid 6-(2,5-dioxo-3-phenyl-1-pyrrolyl)hexyl ester IUPAC Name: 6-(2,5-dioxo-3-phenylpyrrol-1-yl)hexyl 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid 6-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)hexyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCCCCCOC(=O)C3=CC(=CC(=C3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCCCCCOC(=O)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C23H25N3O4/c24-18-12-17(13-19(25)14-18)23(29)30-11-7-2-1-6-10-26-21(27)15-20(22(26)28)16-8-4-3-5-9-16/h3-5,8-9,12-15H,1-2,6-7,10-11,24-25H2