[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

InChI

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