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

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-bromanyl-5-[[cyclopentyl(ethyl)amino]methyl]benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclopentyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester Formula: C17H25BrN2O3 MolecularWeight: 385.296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCO)Br)N)C2CCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCO)Br)N)C2CCCC2

InChI

InChI=1S/C17H25BrN2O3/c1-2-20(14-5-3-4-6-14)11-13-9-12(10-15(18)16(13)19)17(22)23-8-7-21/h9-10,14,21H,2-8,11,19H2,1H3