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

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(morpholin-4-ylmethyl)benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-(morpholinomethyl)benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-(4-morpholinylmethyl)benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-(morpholin-4-ylmethyl)benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-(morpholinomethyl)benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C30H35BrN2O6 MolecularWeight: 599.5127

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCOCC2.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)CN2CCOCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21BrN2O5.C13H10O.CH4/c1-11(20)23-6-7-24-16(21)12-8-13(15(18)14(17)9-12)10-19-2-4-22-5-3-19;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h8-9H,2-7,10,18H2,1H3;1-10H;1H4