2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(methyl)amino]methyl]benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(methyl)amino]methyl]benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C33H41BrN2O5 MolecularWeight: 625.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27BrN2O4.C13H10O.CH4/c1-13(23)25-8-9-26-19(24)14-10-15(18(21)17(20)11-14)12-22(2)16-6-4-3-5-7-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h10-11,16H,3-9,12,21H2,1-2H3;1-10H;1H4