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

Systemtic Name: 2-chloroethyl 4-azanyl-3-bromanyl-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Openeye Name: 2-chloroethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-chloroethyl ester Formula: C19H28BrClN2O2 MolecularWeight: 431.79482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrClN2O2/c1-2-23(16-7-5-3-4-6-8-16)13-15-11-14(12-17(20)18(15)22)19(24)25-10-9-21/h11-12,16H,2-10,13,22H2,1H3