2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cycloheptyl(ethyl)amino]methyl]benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cycloheptyl(ethyl)amino]methyl]benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C35H45BrN2O5 MolecularWeight: 653.6462

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Descriptors Computed from Structure

Canonical SMILES:

C.CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C.CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCCCC2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H31BrN2O4.C13H10O.CH4/c1-3-24(18-8-6-4-5-7-9-18)14-17-12-16(13-19(22)20(17)23)21(26)28-11-10-27-15(2)25;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h12-13,18H,3-11,14,23H2,1-2H3;1-10H;1H4