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5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(cyclohexylmethylamino)methyl]benzoate

5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(cyclohexylmethylamino)methyl]benzoate

Systemtic Name:5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(cyclohexylmethylamino)methyl]benzoate
Openeye Name:5-hydroxypentyl 4-amino-3-bromo-5-[(cyclohexylmethylamino)methyl]benzoate
CAS Name:4-amino-3-bromo-5-[(cyclohexylmethylamino)methyl]benzoic acid 5-hydroxypentyl ester
IUPAC Name:5-hydroxypentyl 4-amino-3-bromo-5-[(cyclohexylmethylamino)methyl]benzoate
Traditional Name:4-amino-3-bromo-5-[(cyclohexylmethylamino)methyl]benzoic acid 5-hydroxypentyl ester
Formula: C20H31BrN2O3
MolecularWeight: 427.37574
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N


Isomeric SMILES

C1CCC(CC1)CNCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N


InChI

InChI=1S/C20H31BrN2O3/c21-18-12-16(20(25)26-10-6-2-5-9-24)11-17(19(18)22)14-23-13-15-7-3-1-4-8-15/h11-12,15,23-24H,1-10,13-14,22H2


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