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

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-acetoxyethyl ester Formula: C20H29BrN2O4 MolecularWeight: 441.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCOC(=O)C)Br)N)C2CCCCC2

InChI

InChI=1S/C20H29BrN2O4/c1-3-23(17-7-5-4-6-8-17)13-16-11-15(12-18(21)19(16)22)20(25)27-10-9-26-14(2)24/h11-12,17H,3-10,13,22H2,1-2H3