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

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[methyl-(phenylmethyl)amino]methyl]benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromo-benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-[[methyl-(phenylmethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromobenzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromo-benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C34H37BrN2O5 MolecularWeight: 633.57198

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)CC2=CC=CC=C2.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)CC2=CC=CC=C2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O4.C13H10O.CH4/c1-14(24)26-8-9-27-20(25)16-10-17(19(22)18(21)11-16)13-23(2)12-15-6-4-3-5-7-15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h3-7,10-11H,8-9,12-13,22H2,1-2H3;1-10H;1H4