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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-(piperidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 5-hydroxypentyl ester Formula: C18H27BrN2O3 MolecularWeight: 399.32258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

Isomeric SMILES

C1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

InChI

InChI=1S/C18H27BrN2O3/c19-16-12-14(18(23)24-10-6-2-5-9-22)11-15(17(16)20)13-21-7-3-1-4-8-21/h11-12,22H,1-10,13,20H2