[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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=CC=C2C

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H25NO4/c1-3-4-5-10-21(25)23-18-13-11-17(12-14-18)20(24)15-27-22(26)19-9-7-6-8-16(19)2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,23,25)