[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C21H23ClN2O4/c1-2-3-4-5-20(26)24-16-9-6-14(7-10-16)19(25)13-28-21(27)15-8-11-17(22)18(23)12-15/h6-12H,2-5,13,23H2,1H3,(H,24,26)