2-acetyloxyethyl 4-azanyl-3-bromanyl-5-cyclohexyl-benzoate; diphenylmethanone; methane; N-methylpropan-1-amine

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-cyclohexyl-benzoate; diphenylmethanone; methane; N-methylpropan-1-amine Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-cyclohexyl-benzoate; diphenylmethanone; methane; N-methylpropan-1-amine CAS Name: 4-amino-3-bromo-5-cyclohexylbenzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane; N-methyl-1-propanamine IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-cyclohexylbenzoate; diphenylmethanone; methane; N-methylpropan-1-amine Traditional Name: 4-amino-3-bromo-5-cyclohexyl-benzoic acid 2-acetoxyethyl ester; benzophenone; methane; methyl(propyl)amine Formula: C35H47BrN2O5 MolecularWeight: 655.66208

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCNC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)C2CCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C.CCCNC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)C2CCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22BrNO4.C13H10O.C4H11N.CH4/c1-11(20)22-7-8-23-17(21)13-9-14(16(19)15(18)10-13)12-5-3-2-4-6-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-5-2;/h9-10,12H,2-8,19H2,1H3;1-10H;5H,3-4H2,1-2H3;1H4