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

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 4-chlorobutyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 4-chlorobutyl ester Formula: C18H26BrClN2O2 MolecularWeight: 417.76824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrClN2O2/c19-16-12-14(18(23)24-10-6-3-7-20)11-15(17(16)21)13-22-8-4-1-2-5-9-22/h11-12H,1-10,13,21H2