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

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-bromanyl-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cycloheptyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester Formula: C19H29BrN2O3 MolecularWeight: 413.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrN2O3/c1-2-22(16-7-5-3-4-6-8-16)13-15-11-14(12-17(20)18(15)21)19(24)25-10-9-23/h11-12,16,23H,2-10,13,21H2,1H3