2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-(piperidin-1-ylmethyl)benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C31H37BrN2O5 MolecularWeight: 597.53988

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCCCC2.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)CN2CCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23BrN2O4.C13H10O.CH4/c1-12(21)23-7-8-24-17(22)13-9-14(16(19)15(18)10-13)11-20-5-3-2-4-6-20;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h9-10H,2-8,11,19H2,1H3;1-10H;1H4