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

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-acetoxyethyl ester Formula: C21H31BrN2O4 MolecularWeight: 455.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrN2O4/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/h12-13,18H,3-11,14,23H2,1-2H3