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

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 2-hydroxyethyl ester Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCO)Br)N

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCO)Br)N

InChI

InChI=1S/C16H23BrN2O3/c17-14-10-12(16(21)22-8-7-20)9-13(15(14)18)11-19-5-3-1-2-4-6-19/h9-10,20H,1-8,11,18H2