methyl 2-[(3-bromanyl-4-piperidin-1-yl-phenyl)carbonyl-ethyl-amino]benzoate

Systemtic Name: methyl 2-[(3-bromanyl-4-piperidin-1-yl-phenyl)carbonyl-ethyl-amino]benzoate Openeye Name: methyl 2-[[3-bromo-4-(1-piperidyl)benzoyl]-ethyl-amino]benzoate CAS Name: 2-[[[3-bromo-4-(1-piperidinyl)phenyl]-oxomethyl]-ethylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-piperidin-1-ylbenzoyl)-ethylamino]benzoate Traditional Name: 2-[(3-bromo-4-piperidino-benzoyl)-ethyl-amino]benzoic acid methyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCCCC3)Br

Isomeric SMILES

CCN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCCCC3)Br

InChI

InChI=1S/C22H25BrN2O3/c1-3-25(19-10-6-5-9-17(19)22(27)28-2)21(26)16-11-12-20(18(23)15-16)24-13-7-4-8-14-24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3