ethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate

Systemtic Name: ethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid ethyl ester Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCCCCC2

InChI

InChI=1S/C16H23BrN2O2/c1-2-21-16(20)12-9-13(15(18)14(17)10-12)11-19-7-5-3-4-6-8-19/h9-10H,2-8,11,18H2,1H3