2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C28H33BrN2O5 MolecularWeight: 557.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H19BrN2O4.C13H10O.CH4/c1-9(18)20-4-5-21-14(19)10-6-11(8-17(2)3)13(16)12(15)7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h6-7H,4-5,8,16H2,1-3H3;1-10H;1H4