2-acetyloxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C32H42BrN3O5 MolecularWeight: 628.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O4.C13H10O.CH4/c1-4-22(5-2)7-6-16(20)14-10-13(11-15(19)17(14)21)18(24)26-9-8-25-12(3)23;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h10-11,16H,4-9,20-21H2,1-3H3;1-10H;1H4