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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 5-hydroxypentyl ester Formula: C19H29BrN2O3 MolecularWeight: 413.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrN2O3/c20-17-13-15(19(24)25-11-7-3-6-10-23)12-16(18(17)21)14-22-8-4-1-2-5-9-22/h12-13,23H,1-11,14,21H2