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

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-pyrrolidinylmethyl)benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(pyrrolidinomethyl)benzoic acid 4-chlorobutyl ester Formula: C16H22BrClN2O2 MolecularWeight: 389.71508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

Isomeric SMILES

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

InChI

InChI=1S/C16H22BrClN2O2/c17-14-10-12(16(21)22-8-4-1-5-18)9-13(15(14)19)11-20-6-2-3-7-20/h9-10H,1-8,11,19H2